SCHEMBL11531010

SCHEMBL11531010

CCCN=C(C)Nc1ccc2c(c1)C(=O)c1ccc(NC(C)=NCCC)cc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TERT O14746 10/20 0.51
▸ PTPRC P08575 1/20 0.49

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
SCHEMBL4291944 0.73 MAOA (0.89) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4298269 0.73 PTPRC (0.83) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4299908 0.72 ALDH1A1 (0.90) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13661737 0.71 MEN1 (0.62) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL22321720 0.70 MAOA (0.83) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL2812760 0.69 MAOA (1.00) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9175494 0.69 ALDH1A1 (1.00) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4297885 0.69 TERT (0.78) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13663715 0.69 PTPRC (0.74) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9261554 0.68 MAOA (0.97) MEN1NPC1ALDH1A1MAPTRAB9A

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-4141992-A Cycloalkylcarboxyamidines and halobenzamidines as anti-amebic agents AMERICAN CYANAMID COMPANY (US) 1979-02-27 — — US disclosed
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