SCHEMBL11181798

SCHEMBL11181798

COc1ccc(C(CC(=O)Nc2ccccn2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CRHBP P24387 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ F2 P00734 1/20 0.59
▸ GAA P10253 4/20 0.55
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ TP53 P04637 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ ITGB3 P05106 2/20 0.53
▸ ITGAV P06756 2/20 0.53

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
SCHEMBL11175663 0.88 GAA (0.67) KMT2AHTTMEN1NPSR1CYP1A2
SCHEMBL11172769 0.83 HTT (0.56) KMT2AHTTMEN1NPSR1LMNA
SCHEMBL27492954 0.80 F2 (0.53) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL10946494 0.80 MEN1 (0.80) KMT2AHTTMEN1NPSR1LMNA
SCHEMBL4575591 0.79 KMT2A (0.68) KMT2AHTTMEN1LMNAF2
SCHEMBL2899163 0.78 NR3C1 (0.67) KMT2ANPSR1F2NPC1RAB9A
SCHEMBL1429119 0.78 KMT2A (0.60) KMT2AHTTMEN1NPSR1LMNA
SCHEMBL10954626 0.77 LMNA (0.86) KMT2AHTTMEN1NPSR1LMNA
SCHEMBL24254588 0.76 F2 (0.60) KMT2AHTTMEN1NPSR1LMNA
SCHEMBL14826369 0.76 LMNA (1.00) KMT2AHTTMEN1NPSR1LMNA

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
US-4405627-A ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS ITALIANA SCHOUM S.P.A. (IT) 1983-09-20 — — US disclosed
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