SCHEMBL17499770

SCHEMBL17499770

COc1ccccc1N=Cc1cncn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SENP7 Q9BQF6 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 7/20 0.37
HIF1A Q16665 2/20 0.37
AMY1A P0DUB6 1/20 0.37
POLB P06746 1/20 0.37
STAT6 P42226 1/20 0.35
UBE2N P61088 1/20 0.35
PABPC1 P11940 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17499768 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499515 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499512 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499425 0.77 GRIN2B (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL16101467 0.77 PDE4A (0.40) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499333 0.77 IDO1 (0.36) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL17499422 0.77 GRIN2B (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL17499723 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499727 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499335 0.75 SIGMAR1 (0.43) ALDH1A1MEN1KMT2ALMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed