SCHEMBL22152175

SCHEMBL22152175

CCc1[nH]c2cc(Br)ccc2c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.45
CHRNA7 P36544 4/20 0.45
CHRNA4 P43681 4/20 0.45
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSNK2A1 P68400 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL22122287 0.80 METAP2 (0.38) CHRNB2CHRNA7CHRNA4NPSR1CSNK2A1
SCHEMBL11066785 0.79 KIF11 (0.46) MEN1KMT2A
SCHEMBL27350234 0.77 PDE9A (0.50) CHRNB2CHRNA7CHRNA4MEN1KMT2A
SCHEMBL23885530 0.76 USP20 (0.51) NPSR1MEN1KMT2AMETAP2PDPK1
SCHEMBL30053023 0.76 USP20 (0.51) NPSR1MEN1KMT2AMETAP2PDPK1
SCHEMBL4775466 0.75 KIF11 (0.49) KMT2AKDM4EGAA
SCHEMBL22418045 0.71 CHRNA7 (0.74) CHRNB2CHRNA7CHRNA4PRNPCYP1A2
SCHEMBL22128207 0.69 CSNK2A1 (0.37) CHRNB2CHRNA7CHRNA4CSNK2A1METAP2
Ethane SCHEMBL29122859 0.67 METAP2 (0.48) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL24576237 0.67 CHRNA7 (0.49) CHRNB2CHRNA7CHRNA4PRNPCYP1A2

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
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed