SCHEMBL9665121

SCHEMBL9665121

CC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.77
PTGES O14684 1/20 0.73
MAPT P10636 5/20 0.69
HPGD P15428 4/20 0.69
LMNA P02545 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CNR1 P21554 1/20 0.60
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56

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
SCHEMBL7815045 0.88 KDM4E (0.97) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL11418640 0.84 MAPK14 (0.56) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL9425483 0.81 KDM4E (0.69) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL9375771 0.81 KDM4E (0.74) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL9663829 0.80 PTGS1 (0.75) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL5466784 0.80 KDM4E (0.62) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL13516893 0.80 KDM4E (0.72) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL9215071 0.80 KDM4E (0.68) KDM4EPTGESHPGDLMNAALDH1A1
SCHEMBL9664403 0.78 KDM4E (0.60) KDM4EPTGESMAPTHPGDLMNA
SCHEMBL3174806 0.78 KDM4E (0.65) KDM4EPTGESMAPTHPGDLMNA

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
EP-0519996-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-12-30 EP disclosed
WO-1991013876-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1991-09-19 WO disclosed