SCHEMBL31308905

SCHEMBL31308905

CCc1cccnc1Nc1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.45
▸ ATM Q13315 1/20 0.44
▸ RAB9A P51151 8/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ PKM P14618 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TSHR P16473 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
SCHEMBL22452841 0.75 KDM4E (0.56) GRM5RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18542720 0.75 CDK2 (0.46) GRM5MAPT
SCHEMBL1908379 0.71 DHODH (0.56) GRM5ATMRAB9ANPC1SMN1; SMN2
SCHEMBL355054 0.71 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL1104644 0.71 KMT2A (0.53) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL17827959 0.70 GRM5 (0.41) GRM5RAB9ANPC1MAPTALDH1A1
SCHEMBL15174346 0.70 GRM5 (0.39) GRM5RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3960441 0.69 GRM5 (0.68) GRM5SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16230541 0.69 GRM5 (0.46) GRM5RAB9ANPC1ALDH1A1KDM4E
SCHEMBL19552354 0.69 ALDH1A1 (0.42) GRM5RAB9ANPC1SMN1; SMN2MAPT

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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
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