SCHEMBL19636588

SCHEMBL19636588

CC(=O)O/N=C/c1cc2sccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
KDM1A O60341 3/20 0.41
RCOR1 Q9UKL0 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 5/20 0.41
TP53 P04637 5/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 4/20 0.39

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
SCHEMBL21022849 0.74 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19610365 0.74 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1788259 0.74 PIM1 (0.52) PIM1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19610364 0.73 PIM1 (0.42) PIM1MAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL22406161 0.72 PIM1 (0.51) PIM1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15870942 0.69 PIM1 (0.48) PIM1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL213253 0.68 PLA2G7 (0.65) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL213254 0.68 PLA2G7 (0.65) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18952163 0.68 KDM1A (0.60) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL212294 0.67 HTT (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1

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-2017198780-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed