SCHEMBL21858970

SCHEMBL21858970

O=C(O)c1cc(Cc2ccc(Br)cc2)c2cccn2n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.59
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL30436296 0.90 CHRM1 (0.57) CHRM1NPC1RAB9A
SCHEMBL21858982 0.87 CHRM1 (0.51) CHRM1
SCHEMBL21859083 0.85 CHRM1 (0.66) CHRM1APOBEC3ANPC1RAB9ASMN1; SMN2
SCHEMBL21858992 0.85 CHRM1 (0.53) CHRM1SMN1; SMN2
SCHEMBL21859075 0.81 CHRM1 (0.57) CHRM1NPC1RAB9A
SCHEMBL21859015 0.81 CHRM1 (0.67) CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL30435828 0.81 CHRM1 (0.57) CHRM1NPC1RAB9A
SCHEMBL21859041 0.80 CHRM1 (0.66) CHRM1SMN1; SMN2
SCHEMBL21858933 0.80 CHRM1 (0.55) CHRM1NPC1RAB9A
SCHEMBL22322560 0.80 CHRM1 (0.55) CHRM1NPC1RAB9A

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-2020079606-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-04-23 WO disclosed