SCHEMBL6654775

SCHEMBL6654775

COc1ccc2[nH]c(C)nc2c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
AMY1A P0DUB6 3/20 0.42
TERT O14746 1/20 0.41
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 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
SCHEMBL1286019 0.81 TSHR (0.43) PDE3BPDE3AAMY1AALDH1A1TSHR
SCHEMBL7483015 0.78 MEN1 (0.54) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL6656239 0.78 CACNA1H (0.45) PDE3BPDE3AAMY1ACYP1A2KDM4E
SCHEMBL4611125 0.76 ALDH1A1 (0.55) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL13594653 0.76 ADRB2 (0.52) CYP1A2KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL6653651 0.76 TNKS (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1080091 0.74 PARP1 (0.42) KDM4EALDH1A1MEN1LMNATSHR
SCHEMBL13255445 0.74 PARP1 (0.46) KDM4EALDH1A1HPGDADRB2PARP1
SCHEMBL6654447 0.73 CACNA1H (0.42) PDE3BPDE3ATERTCYP1A2KDM4E
SCHEMBL20100921 0.72 BRD4 (0.61) KDM4EALDH1A1HSD17B10TP53PARP1

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-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed