SCHEMBL9809061

SCHEMBL9809061

CCn1c(C)c(SC#N)c(=O)n1-c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ELANE P08246 1/20 0.36
KCNK3 O14649 1/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 1/20 0.35
GRM2 Q14416 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP14 Q460N5 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL9809067 0.84 CYP19A1 (0.42) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9809114 0.74 CYP19A1 (0.43) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9809076 0.68 ALDH1A1 (0.44) KDM4EELANEALDH1A1MAPTLMNA
SCHEMBL9809121 0.66 POLB (0.40) ALDH1A1LMNATSHRKMT2AHSD11B1
SCHEMBL3882745 0.66 CYP19A1 (0.56) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9435230 0.64 MAPT (0.51) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL9809093 0.64 KMT2A (0.41) ALDH1A1MAPTHTTL3MBTL1KMT2A
SCHEMBL469848 0.61 ALDH1A1 (0.52) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL9809117 0.61 CYP19A1 (0.45) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6261282 0.60 BCHE (0.66) MGLLKDM4EALDH1A1MAPTLMNA

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
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed