SCHEMBL14470534

SCHEMBL14470534

Bc1ccc(CN(C)CCn2c(=N)n(CC(=O)c3ccc(CI)cc3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.53
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14373496 0.82 CXCR3 (0.76) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14373658 0.81 CXCR3 (0.68) CXCR3KMT2AMEN1ATMKDM4E
SCHEMBL14400625 0.80 CXCR3 (0.67) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14373656 0.80 CXCR3 (0.67) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14373657 0.79 CXCR3 (0.64) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14470443 0.78 CXCR3 (0.63) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14373661 0.77 CXCR3 (0.61) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14470558 0.73 CXCR3 (0.56) CXCR3KMT2AMEN1ATMKDM4E
SCHEMBL5465834 0.71 CXCR3 (0.72) CXCR3KMT2AMEN1ATMMAPT
SCHEMBL14373266 0.71 CXCR3 (0.94) CXCR3KMT2AMEN1ATMMAPT

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-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — WO disclosed
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