SCHEMBL8911620

SCHEMBL8911620

O=C1[N]c2cc(C(F)(F)F)ccc2N1c1cc(Cl)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
HSP90AA1 P07900 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNMA1 Q12791 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TMPRSS4 Q9NRS4 7/20 0.40
CHRNA7 P36544 1/20 0.40
BIRC5 O15392 1/20 0.40
P2RX1 P51575 7/20 0.39
P2RX4 Q99571 4/20 0.39
P2RX7 Q99572 4/20 0.39

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
SCHEMBL15069913 0.75 CRHR1 (0.43) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL30917263 0.75 CRHR1 (0.43) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL9150322 0.72 CYP2C9 (0.39) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL30364439 0.71 HTT (0.43) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL5754955 0.70 COMT (0.44) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL7954476 0.70 HSP90AA1 (0.44) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL5541636 0.69 HCAR1 (0.39) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL27699836 0.69 CHRNA7 (0.41) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL29748943 0.69 HSP90AA1 (0.83) CYP2C9HSP90AA1MEN1KMT2ACYP1A2
SCHEMBL29948904 0.69 HSP90AA1 (0.83) CYP2C9HSP90AA1MEN1KMT2ACYP1A2

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-5621007-A Method for regulation of transmembrane chloride conductance BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-15 US disclosed