SCHEMBL8323206

SCHEMBL8323206

Cc1cc(Cl)c2c(C)nn(-c3cc(C)c(C)cc3C)c2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 5/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
ATM Q13315 1/20 0.37
CRHR1 P34998 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7928892 0.80 KDM4E (0.49) KDM4EHPGDALDH1A1LMNATP53
SCHEMBL18717627 0.78 KDM4E (0.75) KDM4EHPGDALDH1A1LMNATP53
SCHEMBL12057234 0.75 MEN1 (0.49) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL18694045 0.66 HPGD (0.64) KDM4EHPGDALDH1A1LMNATP53
SCHEMBL18509051 0.65 MEN1 (0.38) KDM4EHPGDALDH1A1LMNATSHR
SCHEMBL18694592 0.64 HPGD (0.61) KDM4EHPGDALDH1A1LMNATP53
SCHEMBL30667957 0.61 S1PR2 (0.44) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL22805433 0.61 S1PR2 (0.44) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL18694583 0.61 KDM4E (0.60) KDM4EHPGDALDH1A1LMNATP53
SCHEMBL2250305 0.60 CCNE2 (0.39) CDK4CCND1

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
EP-0765327-B1 PYRAZOLO AND PYRROLOPYRIDINES PFIZER (US) 1999-07-21 EP disclosed