SCHEMBL9769954

SCHEMBL9769954

COC(=O)CNC(C(N)=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL9779583 0.88 ALDH1A1 (0.41) ALOX5NPC1ALDH1A1KMT2AMEN1
SCHEMBL9779355 0.87 CYP2C19 (0.43) ALOX5CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL9779441 0.87 ALOX5 (0.39) ALOX5CYP3A4CYP2D6CYP2C9ALOX15
Hydrochloric Acid SCHEMBL9326175 0.82 ALOX5 (0.41) ALOX5CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL9542762 0.81 L3MBTL1 (0.42) ALOX5TSHRNPC1RAB9AKDM4E
SCHEMBL1520244 0.76 ALOX5 (0.43) ALOX5CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL1143873 0.76 ALOX5 (0.43) ALOX5CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL4152673 0.76 TACR3 (0.40) CYP3A4CYP2D6CYP2C9ALOX15TSHR
SCHEMBL8760984 0.75 ALOX5 (0.40) ALOX5CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL8255644 0.75 ALOX5 (0.47) ALOX5CYP3A4CYP2D6CYP2C9ALOX15

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-4987134-A DISORDERS OF BRAIN FUNCTIONS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed