SCHEMBL17023229

SCHEMBL17023229

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PIK3C2A O00443 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL17023221 0.94 L3MBTL1 (0.47) L3MBTL1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL17023227 0.92 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL17023233 0.92 KMT2A (0.46) L3MBTL1LMNASMN1; SMN2KMT2AUSP2
SCHEMBL17023210 0.90 USP2 (0.41) L3MBTL1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL17023212 0.89 ALDH1A1 (0.49) LMNARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL17023232 0.86 NPC1 (0.47) L3MBTL1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL17023231 0.85 LMNA (0.46) LMNARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL17023217 0.85 LMNA (0.52) LMNARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1881233 0.85 L3MBTL1 (0.55) L3MBTL1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL17023215 0.83 KDM4E (0.49) RAB9ANPC1SMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 EP claimed