SCHEMBL7934334

SCHEMBL7934334

Cc1ccc(-c2ccccc2)c(C2=NC(C)(C)CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
IL2 P60568 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
PSMB5 P28074 1/20 0.37
CHRM1 P11229 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11485826 0.94 KDM4E (0.45) KDM4ELMNAHRH3IL2HTT
SCHEMBL7112634 0.85 KDM4E (0.53) KDM4ELMNAHRH3IL2HTT
SCHEMBL371 0.84 KDM4E (0.49) KDM4ELMNAHRH3IL2HTT
SCHEMBL10835648 0.82 KDM4E (0.50) KDM4ELMNAHRH3IL2HTT
SCHEMBL29186677 0.82 KDM4E (0.44) KDM4ELMNAHRH3IL2HTT
SCHEMBL7937331 0.81 FABP4 (0.42) KDM4ELMNAHRH3IL2HTT
SCHEMBL8560175 0.81 HTT (0.41) KDM4ELMNAHRH3IL2HTT
SCHEMBL9121996 0.80 KDM4E (0.47) KDM4ELMNAHRH3IL2HTT
SCHEMBL7490435 0.80 KDM4E (0.47) KDM4ELMNAHRH3IL2HTT
SCHEMBL8486524 0.80 KDM4E (0.46) KDM4ELMNAHRH3IL2HTT

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-6194599-B1 Process for preparing biaryl compounds CATALYTICA, INC. 2001-02-27 US disclosed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed