SCHEMBL30201876

SCHEMBL30201876

N#Cc1nn(-c2ccccc2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.66
ELANE P08246 3/20 0.54
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
CTRB1 P17538 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MCL1 Q07820 1/20 0.42
PDE5A O76074 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 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
SCHEMBL14518062 0.87 BCAT1 (0.63) BCAT1ELANEF2PLAUCTRB1
SCHEMBL12670708 0.85 ELANE (0.58) BCAT1ELANEF2PLAUCTRB1
SCHEMBL12670709 0.75 ELANE (0.53) ELANEF2PLAUCTRB1ALDH1A1
SCHEMBL4435378 0.75 CNR1 (0.54) BCAT1ELANEALDH1A1KDM4EMAPK1
SCHEMBL29794152 0.74 ELANE (0.53) BCAT1ELANEF2PLAUCTRB1
SCHEMBL1777889 0.74 ELANE (0.53) BCAT1ELANEF2PLAUCTRB1
SCHEMBL28145983 0.74 ELANE (0.53) BCAT1ELANEF2PLAUCTRB1
SCHEMBL29502090 0.74 ELANE (0.53) BCAT1ELANEF2PLAUCTRB1
SCHEMBL28100653 0.74 ELANE (0.53) BCAT1ELANEF2PLAUCTRB1
SCHEMBL3161095 0.72 PDE5A (0.48) ALDH1A1KDM4EMAPK1PDE5AATM

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
EP-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed