SCHEMBL4661907

SCHEMBL4661907

Cc1ccc(CC(=O)CNC(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRMT6 Q96LA8 1/20 0.43
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
DAO P14920 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
RIPK1 Q13546 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
METAP2 P50579 2/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL27568016 0.82 PRMT6 (0.46) POLBKMT2ATDP1PRMT6TP53
SCHEMBL1295809 0.81 MAPT (0.39) POLBKMT2ATDP1PRMT6RIPK1
SCHEMBL1260565 0.77 KMT2A (0.50) POLBKMT2ATDP1PRMT6TP53
SCHEMBL9374537 0.74 PRMT6 (0.47) POLBKMT2ATDP1PRMT6TP53
SCHEMBL9971312 0.69 ALDH1A1 (0.58) POLBKMT2ATDP1PRMT6TP53
SCHEMBL27618484 0.69 RIPK1 (0.47) KMT2APRMT6TP53THRBDAO
SCHEMBL19169552 0.69 RIPK1 (0.47) POLBKMT2ATDP1PRMT6TP53
SCHEMBL4659431 0.69 L3MBTL1 (0.54) KMT2ATDP1TP53NPC1RAB9A
SCHEMBL6844117 0.69 PRMT6 (0.50) POLBKMT2ATDP1PRMT6TP53
SCHEMBL4582402 0.68 CES1 (0.52) KMT2ATDP1RAB9AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed