SCHEMBL7385708

SCHEMBL7385708

CCOC(=O)C(Cc1ccccc1)NC(=O)NCCCCc1ccc(C=NN)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.47
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
EPHX2 P34913 2/20 0.45
KLKB1 P03952 1/20 0.45

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
SCHEMBL9389734 0.90 KMT2A (0.45) TSHRPOLBKMT2AATML3MBTL1
SCHEMBL7386038 0.89 TSHR (0.42) TSHRPOLB
SCHEMBL7386056 0.87 CTSG (0.52)
SCHEMBL9293684 0.86 TSHR (0.41) TSHRPOLBKMT2ALMNAEPHX2
SCHEMBL9389954 0.85 TSHR (0.40) TSHRPOLBKMT2ALMNAEPHX2
SCHEMBL7388722 0.83 HDAC1 (0.54)
SCHEMBL7386158 0.81 ALDH1A1 (0.45) POLB
SCHEMBL7388171 0.81 LPAR1 (0.48)
SCHEMBL7387879 0.80 KMT2A (0.48) POLBKMT2A
SCHEMBL7387501 0.79 CYP4Z1 (0.48) POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO claimed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US claimed
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed