SCHEMBL8816554

SCHEMBL8816554

Cc1ccc(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3OCc3ccccc3)c(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ LRRK2 Q5S007 5/20 0.44
▸ TP53 P04637 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGER1 P34995 2/20 0.41
▸ CNR1 P21554 2/20 0.41

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
SCHEMBL7512604 0.92 KCNA3 (0.45) KCNA3KMT2ALRRK2TP53AKR1C3
SCHEMBL8816546 0.83 CYP19A1 (0.45) KCNA3KMT2ALRRK2TP53AKR1C3
SCHEMBL8816306 0.80 MAPT (0.48) KCNA3KMT2ATP53ALDH1A1
SCHEMBL7512593 0.75 CYP19A1 (0.45) KCNA3KMT2ALRRK2TP53NPC1
SCHEMBL6356805 0.74 KMT2A (0.60) KMT2ATP53NPC1RAB9AMEN1
SCHEMBL6354409 0.73 NPC1 (0.56) KMT2ATP53AKR1C3NPC1RAB9A
SCHEMBL8814366 0.73 CYP19A1 (0.44) KCNA3TP53NPC1RAB9APPARG
SCHEMBL7509376 0.73 LRRK2 (0.50) KMT2ALRRK2TP53NPC1RAB9A
SCHEMBL8812526 0.71 GCGR (0.40) KMT2ATP53MEN1ALDH1A1SMN1; SMN2
SCHEMBL8814928 0.71 NPC1 (0.46) KMT2ATP53NPC1RAB9AMEN1

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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
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