SCHEMBL652665

SCHEMBL652665

O=C(NC1(c2ccccc2)CC1)c1cc2[nH]nc(NC(=O)c3ccccc3[N+](=O)[O-])c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL653285 0.85 DYRK1A (0.41) SMN1; SMN2NPC1GAARAB9ADYRK1A
SCHEMBL651209 0.85 CYP1A2 (0.46) MEN1KMT2AABCG2SMN1; SMN2NPC1
SCHEMBL4086452 0.81 MAPK1 (0.46) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL653933 0.80 MEN1 (0.43) MEN1KMT2AABCG2SMN1; SMN2NPC1
SCHEMBL4088328 0.80 MAPK1 (0.41) MEN1KMT2ASMN1; SMN2NPC1HTT
SCHEMBL4088806 0.80 HSD17B13 (0.42) SMN1; SMN2NPC1CYP3A4RAB9AKDM4E
SCHEMBL652872 0.80 BDKRB1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL653508 0.80 BDKRB1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4083945 0.78 MAPK1 (0.45) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL4088568 0.77 CDK2 (0.40) SMN1; SMN2NPC1CYP3A4RAB9AKDM4E

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
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed