SCHEMBL9628244

SCHEMBL9628244

COc1ccccc1C1=NC(c2ccccc2)CS1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
APP P05067 1/20 0.40
ALDH1A1 P00352 8/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
FFAR2 O15552 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL27339252 0.74 DRD2 (0.43) ALDH1A1MAPTMAPK1LMNA
SCHEMBL13744743 0.73 TDP1 (0.47) MEN1KMT2AATMALDH1A1RAB9A
SCHEMBL25746607 0.71 MAPT (0.62) MEN1KMT2AATMALDH1A1RAB9A
SCHEMBL25746618 0.71 MAPT (0.62) MEN1KMT2AATMALDH1A1RAB9A
SCHEMBL14114237 0.70 TAAR1 (0.39) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4415965 0.68 HTR2B (0.43) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL27995807 0.67 APP (0.46) MEN1KMT2AATMAPPALDH1A1
SCHEMBL8057572 0.67 NOS3 (0.57) MEN1KMT2AATM
SCHEMBL16203066 0.67 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL5993630 0.66 HDAC3 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1024794-C Oxa-or thia-zoline derivative and preparaiton thereof YASHIMA KAGAKU KOGYO KK (JP) 1994-06-01 CN disclosed
EP-0345775-B1 OXA- OR THIA-ZOLINE DERIVATIVE YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1992-04-08 EP disclosed
US-4977171-A INSECTICIDES YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1990-12-11 US disclosed
CN-1038809-A  azoles quinoline or thiazoline derivative and its method for making YASHIMA KAGAKU KOGYO KK (JP) 1990-01-17 CN disclosed
EP-0345775-A1 Oxa- or thia-zoline derivative YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1989-12-13 EP disclosed