SCHEMBL8867413

SCHEMBL8867413

CNC(=S)Nc1cccc(/C=C/C[O])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
JAK2 O60674 1/20 0.40
PKM P14618 1/20 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
SCHEMBL8867428 1.00 ALDH1A1 (0.52) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL8867056 0.87 KMT2A (0.51) ALDH1A1KMT2AMAPTGAAMAOA
SCHEMBL8867437 0.87 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL8867062 0.87 KMT2A (0.51) ALDH1A1KMT2AMAPTGAAMAOA
SCHEMBL8867588 0.86 MAPT (0.53) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8867582 0.86 MAPT (0.53) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8868021 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8868024 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8867679 0.84 MAOB (0.46) ALDH1A1KMT2AMAPTMAOAMAOB
SCHEMBL8867682 0.84 MAOB (0.46) ALDH1A1KMT2AMAPTMAOAMAOB

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed