SCHEMBL2341868

SCHEMBL2341868

CCCn1nc(-c2ccc(Cl)cc2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.64
▸ POLB P06746 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ MAPT P10636 6/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ STAT3 P40763 2/20 0.58
▸ TP53 P04637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALOX12 P18054 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.46

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
SCHEMBL15173711 0.87 SMN1; SMN2 (0.67) TSHRPOLBLMNANPC1RAB9A
SCHEMBL13273519 0.84 SMN1; SMN2 (0.51) TSHRPOLBLMNANPC1RAB9A
SCHEMBL2411656 0.80 MEN1 (0.58) TSHRPOLBLMNANPC1RAB9A
SCHEMBL2182531 0.78 MAPT (1.00) TSHRPOLBLMNANPC1RAB9A
SCHEMBL1143516 0.77 MEN1 (0.89) TSHRPOLBLMNANPC1RAB9A
SCHEMBL27667670 0.77 TSHR (0.47) TSHRPOLBLMNANPC1RAB9A
SCHEMBL27647109 0.76 TLR8 (0.55) TSHRPOLBLMNANPC1RAB9A
SCHEMBL14132905 0.74 SMN1; SMN2 (1.00) TSHRPOLBLMNANPC1RAB9A
SCHEMBL18003909 0.73 SMN1; SMN2 (0.61) TSHRPOLBLMNANPC1RAB9A
SCHEMBL8041065 0.72 ALDH1A1 (0.48) TSHRPOLBLMNANPC1RAB9A

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
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 — — WO disclosed
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