SCHEMBL17023212

SCHEMBL17023212

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
PTGES O14684 3/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 1/20 0.42
CASP3 P42574 1/20 0.42
CRHR2 Q13324 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PKM P14618 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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 0.90 L3MBTL1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17023229 0.89 L3MBTL1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17023227 0.88 L3MBTL1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17023233 0.88 KMT2A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1875489 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17023210 0.84 USP2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17023231 0.81 LMNA (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17023217 0.81 LMNA (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17023215 0.80 KDM4E (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17023234 0.79 KMT2A (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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