SCHEMBL14445367

SCHEMBL14445367

COCCCn1ncc(N)c1NCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
RECQL P46063 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
SCHEMBL14445356 0.92 MAPK1 (0.36) MAPK1KDM4EMAPTALDH1A1LMNA
SCHEMBL14445362 0.82 ALDH1A1 (0.33) MAPK1KDM4EMAPTNPSR1ALDH1A1
SCHEMBL14445366 0.82 ALDH1A1 (0.37) MAPK1KDM4EMAPTNPSR1ALDH1A1
SCHEMBL14445310 0.82 JAK2 (0.33) KDM4EJAK2JAK1JAK3NR3C1
SCHEMBL14445364 0.82 MAPK1 (0.33) MAPK1KDM4EMAPTALDH1A1APAF1
SCHEMBL5414744 0.80 ALDH1A1 (0.31) MAPK1MAPTALDH1A1EHMT2EHMT1
SCHEMBL14445195 0.80 KMO (0.32)
SCHEMBL14445363 0.79 ALDH1A1 (0.36) MAPK1KDM4EMAPTNPSR1ALDH1A1
SCHEMBL14445298 0.79 CNR1 (0.33) ALDH1A1
SCHEMBL14445237 0.79 KMO (0.35) MAPK1ALDH1A1

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