SCHEMBL7944372

SCHEMBL7944372

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KCNMA1 Q12791 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
COMT P21964 1/20 0.48
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
PARP1 P09874 1/20 0.43
DGAT1 O75907 3/20 0.42
KCNH2 Q12809 3/20 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
SCHEMBL5754955 0.90 COMT (0.44) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL8385492 0.81 TNKS (0.46) TNKSTNKS2ATMWNT3ATYMP
SCHEMBL7953052 0.81 P2RX1 (0.39) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7043221 0.80 KMT2A (0.44) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5755561 0.80 MAPT (0.47) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7943951 0.77 TMPRSS4 (0.41) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7944057 0.76 ARF6 (0.37) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7952535 0.73 TNKS (0.43) MAPTCYP2C9TSHRKCNMA1TNKS
SCHEMBL7944370 0.72 HSP90AA1 (0.53) HSP90AA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL5754718 0.71 COMT (0.42) CYP1A2CYP3A4CYP2C9CYP2C19COMT

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-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed