SCHEMBL9822756

SCHEMBL9822756

CC(=O)c1nc2cc(C)c(C)cc2nc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
NQO2 P16083 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
BCAT2 O15382 1/20 0.35
TSHR P16473 1/20 0.35
MAP3K14 Q99558 1/20 0.35

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
SCHEMBL4833903 0.79 MAPT (0.54) KDM4ESMN1; SMN2MAPTNQO2ALDH1A1
SCHEMBL28345810 0.79 NPSR1 (0.48) KDM4ESMN1; SMN2MAPTNQO2TDP1
SCHEMBL2407562 0.76 GLP1R (0.51) KDM4ESMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL14734436 0.76 ALDH1A1 (0.53) KDM4ESMN1; SMN2MAPTNQO2TDP1
SCHEMBL11175138 0.75 TDP1 (0.41) KDM4EMAPTTDP1ALDH1A1GLA
SCHEMBL2490986 0.74 NQO2 (0.57) KDM4ESMN1; SMN2MAPTNQO2TDP1
SCHEMBL3435829 0.72 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2HSD17B10KMT2A
SCHEMBL2179646 0.71 ALDH1A1 (0.48) KDM4ESMN1; SMN2MAPTNQO2TDP1
SCHEMBL31063992 0.70 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL2490947 0.69 KDM4E (0.56) KDM4ESMN1; SMN2MAPTNQO2TDP1

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-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed