SCHEMBL22744288

SCHEMBL22744288

Cc1ccc2nc3c(cc2c1)CNCCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TERT O14746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ NCK1 P16333 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ PSMB5 P28074 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ GRM1 Q13255 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30588965 0.81 MAPT (0.38) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL22744378 0.81 MAPT (0.38) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL8353509 0.80 GRM1 (0.42) MEN1KMT2ACYP1A2ALDH1A1HSD17B10
SCHEMBL8350087 0.78 GRM1 (0.52) MEN1KMT2ACYP1A2ALDH1A1PDE3B
SCHEMBL8349678 0.75 CYP3A4 (0.44) MEN1KMT2ACYP1A2TERTMAPT
SCHEMBL22744576 0.73 SSTR4 (0.41) ALDH1A1PDE3BPDE3AKDM4ETSHR
SCHEMBL10200280 0.73 LMNA (0.36) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL25366166 0.72 SSTR4 (0.41) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL30588955 0.72 SSTR4 (0.41) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL10200081 0.72 CDK7 (0.37) SSTR4

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-2020241853-A1 BENZOTRIAZOLE DERIVATIVE 宇部興産株式会社 2020-12-03 — — WO disclosed
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