SCHEMBL14445366

SCHEMBL14445366

COCCCn1ncc(N)c1NCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 3/20 0.34
PDE10A Q9Y233 1/20 0.34
PTGER4 P35408 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NCF1 P14598 1/20 0.33
HCAR3 P49019 1/20 0.31
MAPK1 P28482 3/20 0.31
KDM4E B2RXH2 2/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
APAF1 O14727 1/20 0.31
USP2 O75604 1/20 0.31
NSD2 O96028 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL5414744 0.92 ALDH1A1 (0.31) ALDH1A1MAPTMAPK1
SCHEMBL14445361 0.91 ALDH1A1 (0.38) ALDH1A1MAPTLMNAPDE10APTGER4
SCHEMBL14445364 0.90 MAPK1 (0.33) ALDH1A1MAPTPTGER4KMT2AMAPK1
SCHEMBL14445362 0.88 ALDH1A1 (0.33) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14445308 0.88 ALDH1A1 (0.34) ALDH1A1MAPTLMNAPDE10APTGER4
SCHEMBL14445363 0.85 ALDH1A1 (0.36) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL14445191 0.85 ALDH1A1 (0.34) ALDH1A1MAPTLMNAPTGER4NCF1
SCHEMBL14445304 0.85 ALDH1A1 (0.37) ALDH1A1MAPTLMNAPDE10APTGER4
SCHEMBL14445233 0.82 PTGER4 (0.38) ALDH1A1MAPTLMNAPDE10APTGER4
SCHEMBL14445367 0.82 MAPK1 (0.38) ALDH1A1MAPTLMNAPTGER4MAPK1

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
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed