SCHEMBL7400525

SCHEMBL7400525

Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CN3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.54
RECQL P46063 1/20 0.54
TSHR P16473 1/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51

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 0.86 RAB9A (0.61) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9516076 0.85 HRH3 (0.47) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL9513736 0.85 POLB (0.49) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL7399688 0.84 ALDH1A1 (0.57) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL9517111 0.84 HRH3 (0.49) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL7398399 0.80 LMNA (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9513528 0.79 CA1 (0.54) LMNASMN1; SMN2CA1CA2CA7
SCHEMBL9513484 0.78 POLB (0.56) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL7393630 0.78 POLB (0.48) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL10359739 0.77 POLB (0.57) MEN1KMT2AALDH1A1TDP1MAPT

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