SCHEMBL9239192

SCHEMBL9239192

CCCNC(=O)C(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
LMNA P02545 1/20 0.49
PAX8 Q06710 1/20 0.49
POLB P06746 1/20 0.49
CNR1 P21554 4/20 0.47
CNR2 P34972 2/20 0.47
KDM4A O75164 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR88 Q9GZN0 1/20 0.43

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
SCHEMBL9232927 0.89 NAAA (0.68) NAAALMNAPAX8KDM4A
SCHEMBL1173971 0.86 PKM (0.57) NAAACES2CES1LMNAPOLB
SCHEMBL11402447 0.84 CYP3A4 (0.53) NAAACES2CES1POLBCNR1
SCHEMBL17596634 0.84 CES2 (0.52) NAAACES2CES1POLBCNR1
SCHEMBL4207067 0.83 LAP3 (0.55) CES2CES1LMNAPOLBCNR1
SCHEMBL17596567 0.83 CES2 (0.50) NAAACES2CES1POLBCNR1
SCHEMBL6432979 0.82 CNR1 (0.69) CNR1CNR2
SCHEMBL28658959 0.81 GPR88 (0.56) NAAALMNAPAX8POLBCNR1
SCHEMBL19205721 0.81 NAAA (0.77) NAAALMNAPAX8POLBCNR1
SCHEMBL19245448 0.81 GPR88 (0.56) NAAALMNAPAX8POLBCNR1

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
EP-0657452-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed