SCHEMBL7521717

SCHEMBL7521717

CCCc1ccnc2nc(CCN(C)C(=O)COc3cccc(C)c3C)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.41
▸ RAB9A P51151 3/20 0.38
▸ ALPL P05186 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NOTUM Q6P988 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL7511591 0.84 TP53 (0.48) TP53RAB9AALPLMAPTTHRB
SCHEMBL7517598 0.69 TP53 (0.58) TP53THRB
SCHEMBL7511983 0.68 KMT2A (0.46) TP53MAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL9406926 0.68 ADORA1 (0.43) KDM4EPRMT5POLBNOS3NOS1
SCHEMBL8561715 0.68 ADORA1 (0.41) PRMT5NOS3NOS1NOS2
SCHEMBL7378689 0.64 NOS2 (0.59) PRMT5POLBNOS3NOS1NOS2
SCHEMBL7515484 0.62 TP53 (0.42) TP53MAPTKDM4EPKMSMN1; SMN2
SCHEMBL6500874 0.61 NLRP3 (0.56) TP53RAB9AMAPTTDP1NPC1
SCHEMBL9121089 0.60 ALDH1A1 (0.57) RAB9AALPLMAPTTDP1NPC1
SCHEMBL2059383 0.60 POLB (0.58) RAB9AALPLMAPTKDM4ETDP1

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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