SCHEMBL7399688

SCHEMBL7399688

Cc1ccc(S(=O)(=O)NCCc2ccc(C(=O)CN3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
OPRM1 P35372 1/20 0.50
RAB9A P51151 2/20 0.49
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49
HTR1A P08908 1/20 0.48
LMNA P02545 6/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 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
SCHEMBL7404875 0.90 RAB9A (0.61) ALDH1A1MEN1KMT2AOPRM1RAB9A
SCHEMBL7400525 0.84 MEN1 (0.55) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL9516076 0.82 HRH3 (0.47) ALDH1A1MEN1KMT2AHTTCA1
SCHEMBL7400469 0.81 TBXA2R (0.45) ALDH1A1MEN1KMT2ATBXA2RTBXAS1
SCHEMBL7401572 0.78 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2AOPRM1RAB9A
SCHEMBL7396279 0.78 POLB (0.60) ALDH1A1MEN1KMT2AHTR1ALMNA
SCHEMBL9513528 0.76 CA1 (0.54) LMNACA1CA2CA7CA9
SCHEMBL9080516 0.76 MEN1 (0.50) ALDH1A1MEN1KMT2AHTR1AHTT
SCHEMBL6323362 0.75 ITGB3 (0.48) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL7956788 0.75 ITGB3 (0.48) ALDH1A1MEN1KMT2ARAB9ALMNA

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-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed