SCHEMBL6505043

SCHEMBL6505043

CCc1sc(-c2ncccc2C)nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 7/20 0.38
GFER P55789 2/20 0.38
MYC P01106 1/20 0.37
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL6505000 0.83 KDM4E (0.41) L3MBTL1TDP1NPC1RAB9AKDM4E
SCHEMBL6427866 0.78 KDM4E (0.57) L3MBTL1NPC1RAB9AKDM4EGFER
SCHEMBL6602729 0.76 L3MBTL1 (0.74) L3MBTL1KDM4EALDH1A1PTGDR2POLB
SCHEMBL3436188 0.75 KDM4E (0.63) TDP1NPC1RAB9AKDM4EKMT2A
SCHEMBL6431720 0.75 L3MBTL1 (0.56) L3MBTL1NPC1RAB9AKDM4EGFER
SCHEMBL3436687 0.73 METAP2 (0.39) KDM4EGFERKMT2AMAPTALDH1A1
SCHEMBL6502484 0.73 L3MBTL1 (0.58) L3MBTL1NPC1RAB9AKDM4EGFER
SCHEMBL5238288 0.73 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1PTGDR2
SCHEMBL13453775 0.72 HDAC3 (0.58) L3MBTL1
SCHEMBL19207072 0.72 NTRK1 (0.41) L3MBTL1TDP1NPC1RAB9AKDM4E

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