SCHEMBL7473435

SCHEMBL7473435

N#Cc1ccc(NC(=O)CCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
PGR P06401 1/20 0.52
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
RORC P51449 3/20 0.51
NAMPT P43490 2/20 0.50
PAX8 Q06710 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL7413756 0.90 POLB (0.56) POLBSAE1UBA2RORCPAX8
SCHEMBL3084650 0.90 RORC (0.59) POLBPGRSAE1UBA2RORC
SCHEMBL9223532 0.84 POLB (0.64) POLBPGRSAE1UBA2RORC
SCHEMBL15899425 0.84 POLB (0.59) POLBPGRSAE1UBA2RORC
SCHEMBL7308833 0.83 L3MBTL1 (0.58) POLBPGRRORCMAPTHTT
SCHEMBL8688893 0.83 SAE1 (0.57) POLBSAE1UBA2RORCPAX8
SCHEMBL23054844 0.83 POLB (0.58) POLBPGRSAE1UBA2RORC
SCHEMBL15480399 0.83 HDAC1 (0.65) RORCPAX8HDAC3HDAC4HDAC1
SCHEMBL13716356 0.83 RORC (0.53) POLBPGRSAE1UBA2RORC
SCHEMBL20777973 0.81 PGR (0.65) POLBPGRRORCNAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
US-5986107-A Process for the preparation of a 2-oxopyrrolidine compound G. D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5721366-A PHENYLAMIDINE DERIVATIVES G. D. SEARLE & CO (US) 1998-02-24 US disclosed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed