SCHEMBL10772453

SCHEMBL10772453

CCCCCn1nccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
PGR P06401 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MPO P05164 1/20 0.35
TLR8 Q9NR97 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL27865642 0.95 SLC9A1 (0.37) SLC9A1ALDH1A1POLBMPOCYP1A2
SCHEMBL23139045 0.80
SCHEMBL11499176 0.78 SLC9A1 (0.42) SLC9A1ALDH1A1MPOTLR8CYP1A2
SCHEMBL4563226 0.77 SLC9A1 (0.40) SLC9A1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL31287918 0.77 SLC9A1 (0.44) SLC9A1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL31596139 0.76 KCNMA1 (0.35) ALDH1A1KDM4EHSD17B10GLAPOLB
SCHEMBL20599424 0.76 CCR10 (0.38) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL10771375 0.74 MAPK1 (0.53) SLC9A1ALDH1A1POLBGAAMAPT
SCHEMBL18250695 0.73 MAPK1 (0.51) SLC9A1KDM4EPOLBMAPTMPO
SCHEMBL21227788 0.73 MAPK1 (0.51) SLC9A1KDM4EPOLBMAPTMPO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 EP claimed
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 EP disclosed