SCHEMBL8867437

SCHEMBL8867437

CNC(=S)Nc1cccc(/C=C/CO)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RHOA P61586 1/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.40
JAK2 O60674 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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 0.87 ALDH1A1 (0.52) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL8867413 0.87 ALDH1A1 (0.52) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL8867071 0.87 KMT2A (0.53) ALDH1A1KMT2ANPC1RAB9ARHOA
SCHEMBL8867596 0.86 MAPT (0.51) ALDH1A1KMT2ARHOAMAPTGAA
SCHEMBL8868030 0.85 KDM4E (0.43) ALDH1A1KMT2ARHOAMAPTGAA
SCHEMBL8868531 0.83 KMT2A (0.56) ALDH1A1KMT2ARHOAMAPTCYP1A2
SCHEMBL8867685 0.82 MAOB (0.46) KMT2ARHOAMAPTMEN1MAOA
SCHEMBL8868163 0.81 MAPT (0.61) ALDH1A1KMT2ARHOAMAPTCYP1A2
SCHEMBL14360821 0.77 ALDH1A1 (0.70) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL8867260 0.75 TP53 (0.50) RHOAMAPTMAOAMAOB

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