SCHEMBL9974697

SCHEMBL9974697

Cc1ccc2c(N)c(N3CCCC3)nn2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
ALOX15 P16050 3/20 0.37
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE10A Q9Y233 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
NUDT1 P36639 2/20 0.35

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
SCHEMBL5147442 0.88 HRH4 (0.41) MAPTALDH1A1KDM4ETSHRUSP2
SCHEMBL3851754 0.82
SCHEMBL15291894 0.80 AKT1 (0.41)
SCHEMBL3856669 0.78 SLC18A3 (0.31)
SCHEMBL5145189 0.77 MAP4K4 (0.39) ALDH1A1KDM4EHSD17B10TSHRPDE10A
SCHEMBL14018247 0.77 HRH4 (0.47)
SCHEMBL3872535 0.76 CYP3A4 (0.31) HSD17B10ALOX15POLBSMN1; SMN2MEN1
SCHEMBL5145382 0.73 MAPT (0.33) MAPTALDH1A1KDM4EHSD17B10CASP1
SCHEMBL15291893 0.72 HRH4 (0.42)
SCHEMBL19680469 0.72 PDE10A (0.30) PDE10A

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
EP-1992331-B1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol OREAL (FR) 2013-10-02 EP disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed