SCHEMBL6505000

SCHEMBL6505000

Cc1cccnc1-c1nc(C(=O)O)c(C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MYC P01106 1/20 0.40
PTGER1 P34995 1/20 0.40
KMT2A Q03164 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6505043 0.83 L3MBTL1 (0.46) KDM4ETDP1MAPTALDH1A1CYP3A4
SCHEMBL3436188 0.79 KDM4E (0.63) KDM4ETDP1MAPTALDH1A1CYP3A4
SCHEMBL6505414 0.77 HPGD (0.47) KDM4EMAPTALDH1A1L3MBTL1MYC
SCHEMBL19207072 0.77 NTRK1 (0.41) KDM4ETDP1MAPTALDH1A1CYP3A4
SCHEMBL22617517 0.75 KDM4E (0.42) KDM4ETDP1L3MBTL1ADORA3MYC
SCHEMBL3995172 0.74 RARA (0.60) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL13801128 0.74 METAP2 (0.46) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6505435 0.73 CYP3A4 (0.57) KDM4EMAPTALDH1A1CYP3A4KMT2A
SCHEMBL16041105 0.72 HCRTR2 (0.43) KDM4ETDP1MAPTALDH1A1CYP3A4
SCHEMBL130171 0.71 KDM4E (0.61) KDM4ETDP1MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed