SCHEMBL7606265

SCHEMBL7606265

COc1cc(CCN)ccc1OCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.58
▸ ATM Q13315 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ABCB1 P08183 3/20 0.52
▸ PARP15 Q460N3 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NFKB1 P19838 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
SCHEMBL7610095 0.82 PARP10 (0.57) SMPD1ATMKDM4EABCB1PARP15
SCHEMBL30028263 0.80 KDM4E (0.68) ATMKDM4EABCB1ABCG2KMT2A
SCHEMBL67744 0.80 KDM4E (0.68) ATMKDM4EABCB1ABCG2KMT2A
Hydrochloric Acid SCHEMBL1298567 0.79 KDM4E (0.66) ATMKDM4EABCB1ABCG2TAAR1
SCHEMBL2697142 0.76 ALDH1A1 (0.69) PARP15PARP10TSHRKMT2ACYP1A2
SCHEMBL69026 0.74 MAOB (0.63) ATMKDM4EABCB1ABCG2TSHR
SCHEMBL2742565 0.74 KDM4E (0.68) ATMKDM4EABCB1ABCG2MAPK1
SCHEMBL29351641 0.74 ATM (1.00) ATMKDM4ETSHRMAPK1TAAR1
SCHEMBL15249113 0.74 MEN1 (0.66) KDM4EPARP15PARP10KMT2ACYP1A2
SCHEMBL210639 0.74 ATM (1.00) ATMKDM4ETSHRMAPK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968179-B1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-09-25 — — EP disclosed
US-6277849-B1 FOR PROTECTION OF PLANTS AGAINST PHYTOPATHOGENIC MICROORGANISM INFESTATION SYNGENTA CROP PROTECTION, INC. 2001-08-21 — — US disclosed
EP-0968179-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES Novartis AG (CH) 2000-01-05 — — EP disclosed
WO-1998038161-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES NOVARTIS AG (CH) 1998-09-03 — — WO disclosed
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