SCHEMBL17023217

SCHEMBL17023217

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CSc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPK10 P53779 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 9/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
RGS12 O14924 1/20 0.47
PKM P14618 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.46
APOBEC3A P31941 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.44

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 0.89 L3MBTL1 (0.47) LMNASMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL17023229 0.85 L3MBTL1 (0.48) LMNASMN1; SMN2HPGDRAB9AALDH1A1
SCHEMBL17023231 0.85 LMNA (0.46) LMNASMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL1874546 0.85 LMNA (0.59) LMNAMAPK10SMN1; SMN2POLBHPGD
SCHEMBL17023227 0.84 L3MBTL1 (0.45) LMNASMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL17023233 0.84 KMT2A (0.46) LMNASMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL17023215 0.83 KDM4E (0.49) SMN1; SMN2POLBHPGDRAB9AALDH1A1
SCHEMBL17023210 0.83 USP2 (0.41) LMNASMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL17023232 0.82 NPC1 (0.47) LMNASMN1; SMN2POLBRAB9AALDH1A1
SCHEMBL17023228 0.82 ALDH1A1 (0.39) SMN1; SMN2POLBRAB9AALDH1A1MAPT

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