SCHEMBL9730468

SCHEMBL9730468

[O-][S+](c1nc2ccccc2n1Cc1ccccn1)c1nc2ccccc2n1Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.51
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 4/20 0.48
CFTR P13569 1/20 0.47
BRD4 O60885 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HTT P42858 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4985348 0.78 HRH1 (0.52) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL7831481 0.76 ALDH1A1 (0.44) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL6475862 0.76 KDM4E (0.44) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL28381278 0.75 CTSD (0.60) ALOX5APHRH1ALDH1A1BRD4KDM4E
SCHEMBL29090786 0.75 HRH1 (0.56) ALOX5APHRH1KCNH2ALDH1A1BRD4
SCHEMBL9671309 0.75 BRD4 (0.55) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL24142608 0.74 HRH1 (0.76) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL14173600 0.74 ALDH1A1 (0.61) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL29090789 0.74 HRH1 (0.49) ALOX5APHRH1KCNH2ALDH1A1CFTR
SCHEMBL10720315 0.74 HTT (0.59) ALOX5APHRH1KCNH2ALDH1A1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US disclosed