SCHEMBL7805939

SCHEMBL7805939

CC1(N)C=C(c2ccco2)C(N)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
MAPT P10636 4/20 0.33
HSD17B10 Q99714 4/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALDH1A1 P00352 7/20 0.32
BLM P54132 3/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 3/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
PKM P14618 2/20 0.32
ALOX15 P16050 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL8098613 0.81 TAAR1 (0.36) TAAR1MAPTHSD17B10ALDH1A1BLM
SCHEMBL7805940 0.74 ADORA2A (0.33) MAPTALDH1A1POLBHPGDMEN1
SCHEMBL7800827 0.69 KCNH2 (0.37) HSD17B10LPLLIPGALDH1A1KDM4E
SCHEMBL7455880 0.66
SCHEMBL7463019 0.65
SCHEMBL28466834 0.61 LPL (0.37) TAAR1MAPTHSD17B10LPLLIPG
SCHEMBL4265758 0.60 ALDH1A1 (0.36) MAPTHSD17B10LPLLIPGALDH1A1
SCHEMBL1799678 0.59 ALDH1A1 (0.63) TAAR1MAPTHSD17B10ALDH1A1BLM
SCHEMBL4264716 0.58 ALDH1A1 (0.35) MAPTHSD17B10LPLLIPGALDH1A1
SCHEMBL2965728 0.58 KDM4E (0.36) TAAR1MAPTHSD17B10ALDH1A1BLM

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed