SCHEMBL4615872

SCHEMBL4615872

CCn1c(=NN)n(CC)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 11/20 0.44
GABRA5 P31644 1/20 0.42
KDM4E B2RXH2 8/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
HBB P68871 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
NSD2 O96028 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL5292407 0.72 ALDH1A1 (0.39) HTTCYP1A2CYP2D6ALDH1A1GABRA5
SCHEMBL4621924 0.70 ALDH1A1 (0.59) CYP1A2ALDH1A1GABRA5KDM4EMAPT
SCHEMBL6740402 0.70 ALDH1A1 (0.53) HTTCYP1A2CYP2D6ALDH1A1GABRA5
SCHEMBL30935713 0.70 HTT (0.48) HTTCYP1A2CYP2D6ALDH1A1GABRA5
SCHEMBL4616230 0.70 GPR3 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL4615823 0.70 ALDH1A1 (0.53) HTTCYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL4615827 0.70 ALDH1A1 (0.53) HTTCYP1A2CYP2D6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5899799 0.69 KMT2A (0.55) CYP1A2ALDH1A1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL5899798 0.69 KMT2A (0.55) CYP1A2ALDH1A1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL11514668 0.68 GPR3 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A

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-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed