SCHEMBL9664403

SCHEMBL9664403

CC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
SOAT2 O75908 1/20 0.58
SOAT1 P35610 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTGES O14684 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
SCHEMBL5466784 0.93 KDM4E (0.62) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL9210387 0.82 KDM4E (0.64) KDM4ESOAT1LMNAHPGD
SCHEMBL9215059 0.82 KDM4E (0.64) KDM4ELMNAHPGDPTGES
SCHEMBL9375339 0.82 SOAT2 (0.57) SOAT2SOAT1
SCHEMBL5481419 0.81 PTGS1 (0.54) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL9370118 0.81 SOAT2 (0.58) SOAT2SOAT1
SCHEMBL9370785 0.81 SOAT2 (0.58) SOAT2SOAT1
SCHEMBL9217701 0.80 ACAT1 (0.66) KDM4ESOAT1
SCHEMBL9212895 0.80 ACAT1 (0.66) KDM4ESOAT1
SCHEMBL9213347 0.80 ACAT1 (0.66) KDM4ESOAT1

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