SCHEMBL2927441

SCHEMBL2927441

Nc1ccc(NCCO)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.49
PTGER4 P35408 2/20 0.41
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
MAPK1 P28482 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Sulfuric Acid SCHEMBL7809563 0.91 PRSS1 (0.44) PRSS1PTGER4GAAMAPTKDM4E
SCHEMBL6657713 0.84 KMT2A (0.37) PRSS1MAPTKDM4ETHRBKMT2A
SCHEMBL6573252 0.84 PRSS1 (0.36) PRSS1MAPTKDM4EALDH1A1HTT
SCHEMBL6571957 0.83 PRSS1 (0.38) PRSS1KDM4EALDH1A1HTTKMT2A
SCHEMBL24443647 0.82 TSHR (0.41) PRSS1GAAMAPTKDM4EALDH1A1
SCHEMBL5162037 0.82 ALDH1A1 (0.46) PRSS1GAAMAPTKDM4EALDH1A1
SCHEMBL6573315 0.82 KMT2A (0.37) PRSS1ALDH1A1KMT2AFCGR3BFCGR1A
SCHEMBL6571430 0.82 PRSS1 (0.37) PRSS1ALDH1A1KMT2AFCGR3BFCGR1A
SCHEMBL10608893 0.82 PRSS1 (0.50) PRSS1PTGER4GAAMAPTALDH1A1
SCHEMBL5017658 0.81 HDAC1 (0.47) PRSS1PTGER4

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-1733715-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye OREAL (FR) 2010-01-27 EP claimed
WO-2015086675-A1 PROCESS FOR DYEING KERATIN FIBRES USING COLOURED OLIGOMERS AND/OR POLYMERS DERIVED FROM SELF-OXIDIZING COMPOUNDS, COMPOSITION AND COLOURING AGENT FOR THE SAME L'OREAL (FR) 2015-06-18 WO disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed