SCHEMBL11777532

SCHEMBL11777532

NC(Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)CC(=O)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ AHR P35869 1/20 0.40

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
SCHEMBL11776597 0.88 CTSL (0.50) KMT2AMEN1MAPTALDH1A1TPH1
SCHEMBL11773935 0.84 RAB9A (0.49) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL11744597 0.74 CA2 (0.63) PRSS1PRSS2PRSS3CTSLPPARG
SCHEMBL11781869 0.73 CTSL (0.48) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL16180672 0.72 PRSS1 (0.64) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL9683516 0.71 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTPRSS1
SCHEMBL28003430 0.71 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTPRSS1
SCHEMBL10599787 0.71 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTPRSS1
SCHEMBL610755 0.71 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTPRSS1
Hydrochloric Acid SCHEMBL7427975 0.70 PRSS1 (0.62) KMT2AMEN1SMN1; SMN2MAPTKDM4E

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-4004008-A ANTISPASMODIC, VASODILATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1977-01-18 — — US disclosed
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