SCHEMBL7348274

SCHEMBL7348274

COC(=O)CCc1nc2cc(N)ccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 3/20 0.49
POLB P06746 2/20 0.49
TBXA2R P21731 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
DRD2 P14416 1/20 0.46
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
PPARG P37231 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 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
SCHEMBL7359072 0.91 KDM4E (0.52) KDM4EHDAC1POLBTBXA2RDRD2
SCHEMBL29129962 0.79 ALDH1A1 (0.52) KDM4EHDAC1HDAC8POLBALDH1A1
SCHEMBL7358797 0.77 KDM4E (0.59) KDM4EHDAC1HDAC8POLBTBXA2R
SCHEMBL945578 0.75 POLB (0.61) POLBHTTAGTR1AGTR2PPARG
SCHEMBL19156191 0.74 POLB (0.60) POLBTBXA2RALDH1A1HTTDRD2
SCHEMBL2171116 0.74 HDAC6 (0.48) KDM4EHDAC1HDAC8ALDH1A1
SCHEMBL617824 0.73 TNF (0.68) KDM4EPOLBALDH1A1HTTPPARG
SCHEMBL17381121 0.73 MEN1 (0.49) KDM4EHDAC1HDAC8POLBTBXA2R
Hydrochloric Acid SCHEMBL2171109 0.73 HDAC6 (0.47) KDM4EHDAC1HDAC8ALDH1A1
SCHEMBL5398566 0.72 KDM4E (0.58) KDM4EPOLBTBXA2RALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741804-A Substituted benzimazoles which inhibit platelet aggrecation SMITHKLINE BEECHAM CORPORATION (US) 1998-04-21 US disclosed
WO-1994012478-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1994-06-09 WO disclosed