SCHEMBL14564232

SCHEMBL14564232

Cc1cnc(S)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.39
AVPR1A P37288 1/20 0.38
NOTUM Q6P988 1/20 0.37
HSD17B10 Q99714 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
AHR P35869 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 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
SCHEMBL6510547 0.81 PTGS2 (0.39) ALDH1A1TSHRMAPK1HTTNOTUM
SCHEMBL13713425 0.79 AVPR1A (0.48) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL11378909 0.78 ATM (0.43) ALDH1A1CYP1A2TSHRHTTCYP2C19
Iodide SCHEMBL29040394 0.78 AVPR1A (0.47) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL11978680 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL3953885 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL8656696 0.74 CYP1A2 (0.42) MEN1KMT2AALDH1A1CYP1A2TSHR
Hydrochloric Acid SCHEMBL15953386 0.73 CYP1A2 (0.41) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL11846572 0.73 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL11838885 0.73 CYP1A2 (0.44) MEN1KMT2AALDH1A1CYP1A2TSHR

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
EP-1762894-A1 Photopolymerizable photosensitive lithographic printing plate FUJIFILM Corporation (JP) 2007-03-14 EP disclosed