SCHEMBL6632664

SCHEMBL6632664

CCc1nc2ccc(SC)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DUSP3 P51452 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 2/20 0.38
PKM P14618 1/20 0.37
AKR1B1 P15121 1/20 0.36
P2RX3 P56373 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6629286 0.81 NPC1 (0.53) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL2756575 0.77 RAB9A (0.67) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL10271315 0.77 RAB9A (0.66) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL16615785 0.77 SMN1; SMN2 (0.58) NPC1RAB9AGAAKEAP1SMN1; SMN2
SCHEMBL5358557 0.76 NPC1 (0.63) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL13462723 0.76 RAB9A (0.63) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL6630285 0.76 NPC1 (0.63) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL10047756 0.76 NPC1 (0.63) NPC1RAB9AGAAMAPK1KEAP1
SCHEMBL1913966 0.76 KCNH2 (0.64) NPC1RAB9AGAAKEAP1SMN1; SMN2
SCHEMBL11293396 0.76 GAA (0.63) NPC1RAB9AGAAMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394162-A1 Intermediates of azole antifungal agents and processes for the preparation thereof Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1394142-A1 Carboxylic acid intermediates of antifungal agents and processes for the preparation thereof Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
CN-1478778-A Antifungal agent and its preparation method and intermediate ������������ʽ���� 2004-03-03 CN disclosed
CN-1134421-C Antifungal agent, and preparation method and intermediate thereof ʷ��˿�������ȳ�ķ���޹�˾ 2004-01-14 CN disclosed
CN-1121404-C Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 2003-09-17 CN disclosed
EP-1231210-A2 Azole antifungal agents, processes for the preparation thereof, and intermediates Eisai Co., Ltd. (JP) 2002-08-14 EP disclosed
CN-1320597-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 2001-11-07 CN disclosed
CN-1061347-C Antifungal agent and its preparation method and intermediate EISAI CO LTD (JP) 2001-01-31 CN disclosed
CN-1045441-C Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1999-10-06 CN disclosed
CN-1226555-A Antifungal agent, and preparation method and intermediate thereof 1999-08-25 CN disclosed
CN-1219538-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1999-06-16 CN disclosed
US-5792781-A EFFECTIVE AGAINST DERMATOMYCOSIS/VISCEROMYCOSIS CAUSED BY FUNGI, I.E., CANDIDA ALBICANS EISAI CO., LTD. (JP) 1998-08-11 US disclosed
US-5789429-A FUNGICIDE EISAI CO., LTD. (JP) 1998-08-04 US disclosed
CN-1188765-A Antifungal agent and its preparation method and intermediate EISAI CO LTD (JP) 1998-07-29 CN disclosed
US-5648372-A TRIAZOLES EISAI CO., LTD. (JP) 1997-07-15 US disclosed
CN-1113241-A Antifungal agent, and preparation method and intermediate thereof EISAI CO LTD (JP) 1995-12-13 CN disclosed
EP-0667346-A2 Azole antifungal agents, process for the preparation there of and intermediates Eisai Co., Ltd. (JP) 1995-08-16 EP disclosed