SCHEMBL7051693

SCHEMBL7051693

Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cn2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.68
TXNRD1 Q16881 3/20 0.68
NOX4 Q9NPH5 3/20 0.68
CASP3 P42574 7/20 0.56
SENP8 Q96LD8 5/20 0.56
SENP7 Q9BQF6 5/20 0.56
SENP6 Q9GZR1 5/20 0.56
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TP53 P04637 3/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL7153588 0.85 CASP3 (0.53) CHUKTXNRD1NOX4CASP3SENP8
SCHEMBL7048686 0.84 CASP3 (0.52) CHUKTXNRD1NOX4CASP3SENP8
SCHEMBL7049003 0.84 SMN1; SMN2 (0.62) CHUKTXNRD1NOX4CASP3KDM4E
SCHEMBL7158427 0.81 CASP3 (0.49) CHUKTXNRD1NOX4CASP3KDM4E
SCHEMBL16915425 0.80 HSD17B10 (0.48) CHUKTXNRD1NOX4KDM4EALDH1A1
SCHEMBL6448883 0.80 CASP3 (0.48) CHUKTXNRD1NOX4CASP3MAPT
SCHEMBL7044304 0.80 CASP3 (0.50) CHUKTXNRD1NOX4CASP3KDM4E
SCHEMBL6457424 0.79 CASP3 (0.48) CHUKTXNRD1NOX4CASP3KDM4E
SCHEMBL4198081 0.76 SMN1; SMN2 (0.68) CHUKTXNRD1NOX4CASP3SENP8
SCHEMBL6450106 0.76 ADORA2A (0.53) CHUKTXNRD1NOX4CASP3KDM4E

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
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed