SCHEMBL8385461

SCHEMBL8385461

Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.64
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TDP2 O95551 1/20 0.43
IKBKB O14920 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 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
SCHEMBL18121825 0.78 NOTUM (0.70) NOTUMKMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL23451693 0.78 NOTUM (1.00) NOTUMKMT2AKDM4ENPC1RAB9A
SCHEMBL14007387 0.78 NOTUM (0.69) NOTUMKMT2AKDM4ENPC1RAB9A
SCHEMBL1261092 0.74 KIF11 (0.47) NOTUMKMT2AKDM4ENPC1RAB9A
SCHEMBL5535013 0.73 NOTUM (0.40) NOTUMKMT2AKDM4ENPC1RAB9A
SCHEMBL10437800 0.72 NOTUM (0.42) NOTUMKMT2ANPC1IKBKBGPR55
SCHEMBL15205456 0.71 NOTUM (0.59) NOTUMKMT2A
SCHEMBL1261067 0.70 PTGS1 (0.48) NOTUMKMT2ANPC1RAB9ANPSR1
SCHEMBL16649811 0.70 NOTUM (0.47) NOTUMKMT2AHPGDALDH1A1
SCHEMBL18528795 0.69 NPC1 (0.69) NOTUMKMT2AKDM4ENPC1RAB9A

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-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US claimed