SCHEMBL7945100

SCHEMBL7945100

NC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
RAB9A P51151 1/20 0.58
ATM Q13315 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58

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
SCHEMBL8672792 0.90 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL12143205 0.87 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL12143204 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL9089011 0.86 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL14095674 0.85 HDAC1 (0.74) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL11993894 0.84 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL6940855 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL9573557 0.82 MAPT (0.65) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL9573457 0.82 ALDH1A1 (0.59) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL9091250 0.82 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTALDH1A1CYP1A2

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
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2000014073-A1 BENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND COMPOSITIONS HOECHST MARION ROUSSEL (FR) 2000-03-16 WO disclosed