SCHEMBL3874782

SCHEMBL3874782

Cc1cc(NC(=O)Cc2ccc3[nH]c(-c4ccc(Cl)cn4)nc3c2)ccc1C1OCCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.42
▸ F10 P00742 5/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 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
SCHEMBL3864134 0.82 F10 (0.56) KDRF10MAPT
SCHEMBL3871851 0.78 F10 (0.66) KDRF10
SCHEMBL3864953 0.73 F10 (0.64) F10
SCHEMBL3862482 0.70 DGAT1 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3864192 0.67 F10 (0.69) KDRF10TP53KDM4ENPC1
SCHEMBL4371202 0.67 KDR (0.55) KDRMEN1POLBKMT2AHIF1A
SCHEMBL4367576 0.65 METAP1 (0.49) KDRMEN1KMT2AHIF1ATP53
SCHEMBL4372770 0.63 KDR (0.55) KDRMEN1POLBKMT2ATP53
SCHEMBL4367763 0.63 KDR (0.55) KDRMEN1KMT2AHIF1ATP53
SCHEMBL3866754 0.62 F10 (0.89) F10

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-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
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