SCHEMBL30833835

SCHEMBL30833835

O=C1c2ccc(Br)cc2CN1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 1/20 0.47
▸ SDCBP O00560 2/20 0.45
▸ SDC2 P34741 2/20 0.45
▸ TDP2 O95551 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ SRD5A1 P18405 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 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
SCHEMBL27172637 1.00 METAP1 (0.47) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL25060934 0.81 HSD17B1 (0.41) KMT2A
SCHEMBL17523048 0.78 METAP1 (0.43) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL290250 0.78 BRD4 (0.56) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL17179269 0.78 METAP1 (0.43) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL2144912 0.77 SDCBP (0.48) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL7601380 0.75 NPC1 (0.50) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL3045977 0.75 PRMT5 (0.45) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL1029578 0.74 HSD17B3 (0.49) METAP1SDCBPSDC2TDP2PARP10
SCHEMBL1500062 0.74 MAOA (0.46) METAP1SDCBPSDC2TDP2PARP10

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-4337643-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR Addex Pharma S.A (CH) 2024-03-20 — — EP disclosed
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