SCHEMBL20162011

SCHEMBL20162011

COc1cc(C)c(CC(Br)C=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SGPL1 O95470 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
SCHEMBL29933011 0.82 HTT (0.40) MAPTSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL20161505 0.82 HTT (0.40) MAPTSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL10019206 0.75 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12466982 0.73 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24467293 0.71 TAAR1 (0.47) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1922511 0.71 NR3C1 (0.42) ALDH1A1KDM4E
SCHEMBL25703642 0.70 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5234251 0.69 MEN1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL27624485 0.68 TAAR1 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18928321 0.68 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed