SCHEMBL9862178

SCHEMBL9862178

CCOc1cc(C#N)c(OCC)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 3/20 0.41
BRCA1 P38398 3/20 0.41
LMNA P02545 3/20 0.41
HBB P68871 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL23915464 0.91 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL23948615 0.86 MEN1 (0.41) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL19554285 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL7028420 0.82 MAPT (0.64) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL17101854 0.80 KDM4E (0.66) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL1940230 0.80 KDM4E (0.56) ALDH1A1KDM4EHSD17B10MEN1MAPT
Hydrochloric Acid SCHEMBL8646778 0.80 MAPT (0.61) ALDH1A1KDM4EHSD17B10MEN1MAPT
Hydrochloric Acid SCHEMBL8646781 0.80 MAPT (0.61) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL19554261 0.79 XDH (0.46) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL23915453 0.78 MAPT (0.51) ALDH1A1MEN1MAPTKMT2ALMNA

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-5026831-A Water-insoluble disazo colorants having hetero-bicyclic methylene-active compounds as coupling component HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed