SCHEMBL22955340

SCHEMBL22955340

N#Cc1ccc2[nH]c(-c3cccc4ccccc34)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.52
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
CHEK2 O96017 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
RHEB Q15382 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
ITK Q08881 1/20 0.41
STK10 O94804 1/20 0.41

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
SCHEMBL27824953 0.80 HPGD (0.47) HPGDSMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL2313456 0.80 MAPK10 (0.46) MAPK10METAP2METAP1CHEK2PKN1
SCHEMBL29824703 0.79 MAPK13 (0.51) MAPK10METAP2METAP1HPGDSMN1; SMN2
SCHEMBL22955599 0.79 MAPK13 (0.51) MAPK10METAP2METAP1HPGDSMN1; SMN2
SCHEMBL29824605 0.79 NPC1 (0.49) METAP2METAP1HPGDSMN1; SMN2RHEB
SCHEMBL2951537 0.79 NPC1 (0.49) METAP2METAP1HPGDSMN1; SMN2RHEB
SCHEMBL22955874 0.79 ALDH1A1 (0.52) METAP2METAP1HPGDSMN1; SMN2LMNA
SCHEMBL22955429 0.79 PTGES (0.49) HPGDSMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL16148264 0.79 ATR (0.49) CHEK2HPGDSMN1; SMN2RHEBLMNA
SCHEMBL28267390 0.79 CHEK2 (0.61) MAPK10METAP2METAP1CHEK2HPGD

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-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed