SCHEMBL7511591

SCHEMBL7511591

CCCc1cccc2[nH]c(CCN(C)C(=O)COc3cccc(C)c3C)nc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.48
▸ ALPL P05186 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7521717 0.84 TP53 (0.41) TP53ALPLRAB9AMAPTSMN1; SMN2
SCHEMBL7511983 0.69 KMT2A (0.46) TP53MAPTSMN1; SMN2PKMGAA
SCHEMBL7456043 0.67 ATM (0.39) RAB9AKDM4E
SCHEMBL7517598 0.67 TP53 (0.58) TP53GAATHRB
SCHEMBL15767180 0.66 CHEK1 (0.41) CHEK1POLBKDM4E
SCHEMBL1917210 0.66 MGAM (0.47) GAATDP1
SCHEMBL7022293 0.65 CHEK1 (0.37) CHEK1KDM4E
SCHEMBL13406050 0.65 TP53 (1.00) TP53SMN1; SMN2PKMTHRB
SCHEMBL8973663 0.64 ATP4A (0.41) GAAPOLBKMT2ATDP1
SCHEMBL6943657 0.63 CACNA1G (0.57) TP53RAB9ACHEK1SMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541146-A — — 2002-12-03 — — JP claimed
EP-1165519-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIDIABETICS NEUROGEN CORPORATION (US) 2002-01-02 — — EP claimed
WO-2000059887-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIDIABETICS NEUROGEN CORPORATION (US) 2000-10-12 — — WO claimed
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