SCHEMBL7981965

SCHEMBL7981965

CSc1c(C)ccc(C)c1-c1cc(C)no1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CB P42338 1/20 0.35
TP53 P04637 4/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
CSF1R P07333 3/20 0.33

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
SCHEMBL6264553 0.77 KDM4E (0.38) MAPTPOLBKDM4EUSP2ALDH1A1
SCHEMBL12305011 0.76 KDM4E (0.45) MAPTPOLBKDM4EUSP2ALDH1A1
SCHEMBL7980960 0.73 KDM4E (0.39) MAPTPOLBKDM4EUSP2ALDH1A1
SCHEMBL8310371 0.69 KDM4E (0.41) MAPTPOLBKDM4EUSP2ALDH1A1
SCHEMBL12305013 0.69 CSF1R (0.40) MAPTPOLBKDM4EUSP2ALDH1A1
SCHEMBL7985184 0.69 CSF1R (0.43) MAPTKDM4EUSP2ALDH1A1TSHR
SCHEMBL3342160 0.67 KDM4E (0.49) MAPTPOLBKDM4EALDH1A1CYP1A2
SCHEMBL8305274 0.66 KDM4E (0.40) MAPTKDM4EUSP2ALDH1A1TSHR
SCHEMBL12603538 0.66 CSF1R (0.43) MAPTKDM4EUSP2ALDH1A1TSHR
SCHEMBL8058708 0.66 BRD4 (0.50) KDM4EUSP2ALDH1A1TSHRCYP1A2

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-6245716-B1 LOW DOSAGE; NONPHYTOTOXIC NIPPON SODA CO., LTD. (JP) 2001-06-12 US disclosed