SCHEMBL14470429

SCHEMBL14470429

Bc1ccc(C(=O)Cn2c(N)nc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.61
▸ NOD1 Q9Y239 1/20 0.60
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CXCR3 P49682 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ CXCR4 P61073 1/20 0.51
▸ CTSD P07339 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALPL P05186 2/20 0.50
▸ ALPG P10696 2/20 0.50
▸ ALPP P05187 1/20 0.50
▸ PLAA Q9Y263 1/20 0.50
▸ GUSB P08236 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL484344 0.82 F2R (0.57) F2RNOD1CYP2C9CYP2C19CYP1A2
SCHEMBL20556851 0.77 F2R (0.54) F2RNOD1CYP1A2CYP2D6HTT
SCHEMBL17329330 0.75 MMP2 (0.67) F2RNOD1CYP1A2CYP2D6KMT2A
SCHEMBL5452572 0.73 F2R (0.53) F2RCYP1A2CYP2D6HTTCXCR4
SCHEMBL6199065 0.71 CXCR4 (0.85) NOD1CYP1A2CYP2D6KMT2AHTT
SCHEMBL5461909 0.71 CXCR4 (0.66) NOD1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL6694492 0.70 HTT (0.70) NOD1CYP1A2CYP2D6KMT2AHTT
SCHEMBL6325602 0.69 SMN1; SMN2 (0.70) CYP2C9CYP2C19CYP1A2CYP2D6MEN1
SCHEMBL1802857 0.69 CXCR3 (0.57) NOD1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL6196399 0.69 CXCR4 (1.00) NOD1CYP1A2CYP2D6KMT2AHTT

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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