SCHEMBL7712160

SCHEMBL7712160

CCCNc1cc(N(C)C)nc(NCCC)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.57
ESR2 Q92731 1/20 0.57
DNM2 P50570 9/20 0.56
NUDT1 P36639 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL9107176 0.85 ESR1 (0.50) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL13967286 0.85 ESR1 (0.68) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL7164892 0.83 NUDT1 (0.62) ESR1ESR2DNM2NUDT1CYP2C19
SCHEMBL7712163 0.81 DNM2 (0.47) ESR1DNM2NUDT1ALDH1A1LMNA
Sulfuric Acid SCHEMBL20164450 0.79 ESR1 (0.44) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL16608745 0.78 DNM2 (0.61) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL16293225 0.76 ESR1 (0.50) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL9105998 0.76 ESR1 (0.58) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL15739197 0.76 ESR1 (0.41) ESR1ESR2DNM2ALDH1A1LMNA
SCHEMBL15720241 0.76 ESR1 (0.41) ESR1ESR2DNM2ALDH1A1LMNA

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
US-6380263-B1 ADMINISTERING TO HUMAN EFFECTIVE TYROSINASE ACTIVITY-STIMULATING AMOUNT OF AT LEAST ONE 6-SUBSTITUTED PYRIMIDINE 3-OXIDE COMPOUND FOR PROMOTING PIGMENTATION OF THE SKIN AND/OR HAIR SOCIETE L'OREAL (FR) 2002-04-30 US disclosed
US-5756092-A DRUGS OR COSMETIC MIXTURE TREATING SKIN DISORDERS, ALOPECIA SOCIETEL'OREAL S.A. (FR) 1998-05-26 US disclosed