SCHEMBL8917629

SCHEMBL8917629

O=c1[nH]c2cc(CC(F)(F)F)ccc2n1-c1cc(Cl)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KCNMA1 Q12791 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKT2 P31751 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 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
SCHEMBL5631019 0.84 HSP90AA1 (0.60) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29948904 0.82 HSP90AA1 (0.83) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3102522 0.82 HSP90AA1 (0.83) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29748943 0.82 HSP90AA1 (0.83) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8917622 0.81 HSP90AA1 (0.65) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9116312 0.81 HSP90AA1 (0.57) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5632986 0.80 HSP90AA1 (0.83) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9118401 0.76 HSP90AA1 (0.56) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9119941 0.76 HSP90AA1 (0.75) HSP90AA1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8917638 0.76 HSP90AA1 (0.52) HSP90AA1MEN1KMT2ACYP1A2CYP3A4

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