SCHEMBL9716976

SCHEMBL9716976

Oc1ccc(Cl)cc1N1c2ccc(C(F)(F)F)cc2NC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
TMPRSS4 Q9NRS4 5/20 0.38
P2RX1 P51575 6/20 0.36
P2RX4 Q99571 3/20 0.36
P2RX7 Q99572 3/20 0.36
NTRK1 P04629 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 3/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL8654683 0.76 KMT2A (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL27699836 0.74 CHRNA7 (0.41) CHRNA7TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL27553570 0.73 KMT2A (0.41) CHRNA7MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9150322 0.68 CYP2C9 (0.39) CHRNA7TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL8911620 0.68 CYP2C9 (0.41) CHRNA7TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL9119962 0.67 CYP2C9 (0.60) CHRNA7TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL30917263 0.65 CRHR1 (0.43) CHRNA7TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL15069913 0.65 CRHR1 (0.43) CHRNA7TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL3102522 0.64 HSP90AA1 (0.83) TMPRSS4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29748943 0.64 HSP90AA1 (0.83) TMPRSS4MEN1KMT2ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4305568-A None JP disclosed
JP-H04305568-A BENZIMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND THEIR USE NEUROSEARCH AS 1992-10-28 JP disclosed