SCHEMBL9302981

SCHEMBL9302981

Cc1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.61
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
CNR2 P34972 9/20 0.60
CNR1 P21554 3/20 0.57
CXCR4 P61073 2/20 0.57
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ADRB2 P07550 1/20 0.55
HTT P42858 1/20 0.55
TAS2R14 Q9NYV8 1/20 0.55
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL14470257 0.93 ALDH1A1 (0.69) ALDH1A1LMNACNR2CXCR4MAPT
SCHEMBL31612502 0.91 MAPT (0.63) ALDH1A1LMNACNR2CNR1CXCR4
SCHEMBL407669 0.89 ALDH1A1 (0.73) NR1H3ALDH1A1LMNACXCR4MAPT
SCHEMBL9305267 0.85 NR1H3 (0.59) NR1H3ALDH1A1LMNACNR2CXCR4
SCHEMBL4072202 0.85 NR1H3 (0.63) NR1H3ALDH1A1LMNACXCR4MAPT
SCHEMBL27864280 0.84 CNR2 (0.58) CNR2CNR1TSHRHTTTAS2R14
SCHEMBL14285692 0.83 TAS2R14 (0.64) NR1H3ALDH1A1LMNACNR2CNR1
SCHEMBL20387915 0.82 CNR2 (0.70) ALDH1A1LMNACNR2CNR1MAPT
SCHEMBL18773879 0.82 ALDH1A1 (0.57) ALDH1A1LMNACNR2CNR1MAPT
SCHEMBL4068031 0.82 NR1H3 (0.57) NR1H3ALDH1A1LMNACNR2CXCR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed