SCHEMBL23095604

SCHEMBL23095604

C=C(CSc1ccncc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPY5R Q15761 1/20 0.41
FFAR1 O14842 1/20 0.37
MIF P14174 1/20 0.37
STAT3 P40763 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 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
SCHEMBL3735703 0.81 SMN1; SMN2 (0.60) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL11442961 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL147071 0.75 FFAR1 (0.65) ALDH1A1LMNAHTTHSD17B10PKM
Hydrochloric Acid SCHEMBL1376065 0.73 FFAR1 (0.63) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL13113137 0.73 PKM (0.51) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL7421131 0.73 ALDH1A1 (0.49) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL3735701 0.73 ALDH1A1 (0.49) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL19604046 0.73 ALDH1A1 (0.49) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL15563329 0.73 ALDH1A1 (0.57) ALDH1A1LMNAHTTHSD17B10PKM
Hydrochloric Acid SCHEMBL11299977 0.72 ALDH1A1 (0.47) ALDH1A1LMNAHTTHSD17B10PKM

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-10947402-B2 Solder mask inkjet inks for manufacturing printed circuit boards AFGA-GEVAERT NV (BE) 2021-03-16 US disclosed