SCHEMBL14470530

SCHEMBL14470530

C[C@@H]1CC=CC=C1CN(CCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 17/20 0.57
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ATM Q13315 2/20 0.48

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
SCHEMBL5465834 0.85 CXCR3 (0.72) CXCR3MEN1KMT2AATM
SCHEMBL14373450 0.78 CXCR3 (0.75) CXCR3
SCHEMBL14373496 0.78 CXCR3 (0.76) CXCR3MEN1KMT2AATM
SCHEMBL14373452 0.76 CXCR3 (0.72) CXCR3MEN1KMT2A
SCHEMBL5487770 0.73 CXCR3 (1.00) CXCR3MEN1KMT2AATM
SCHEMBL14373262 0.73 CXCR3 (1.00) CXCR3MEN1KMT2AATM
SCHEMBL14373376 0.72 CXCR3 (1.00) CXCR3MEN1KMT2AATM
SCHEMBL14373658 0.72 CXCR3 (0.68) CXCR3MEN1KMT2AATM
SCHEMBL5449948 0.71 CXCR3 (1.00) CXCR3MEN1KMT2AATM
SCHEMBL14373656 0.71 CXCR3 (0.67) CXCR3MEN1KMT2AATM

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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