SCHEMBL7717291

SCHEMBL7717291

NC(=NN=CCC(c1ccccc1)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRIN2B Q13224 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIN1 Q05586 2/20 0.33
CES2 O00748 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MPO P05164 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM5A P29375 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL7717756 0.91 GRIN2B (0.41) LMNAGRIN2BMEN1KMT2AGRIN1
SCHEMBL22815269 0.71 KDM1A (0.48) KDM1ALMNAHSD17B10ESR1ESR2
SCHEMBL7717290 0.71 LMNA (0.39) KDM1ALMNAHSD17B10ESR1ESR2
SCHEMBL7717293 0.71 LMNA (0.39) KDM1ALMNAHSD17B10ESR1ESR2
SCHEMBL20017320 0.70 KDM1A (0.54) KDM1ALMNAHSD17B10ESR1ESR2
SCHEMBL27608796 0.67 HTR2A (0.41) LMNACYP2C19HTR2ATAAR1
SCHEMBL15155598 0.66 CYP2C19 (0.52) LMNAHSD17B10ESR1IDO1TDO2
SCHEMBL18891357 0.65 KMT2A (0.48) HSD17B10ESR1GRIN2BMEN1KMT2A
SCHEMBL7717284 0.65 GRIN2D (0.61) KDM1ALMNAHSD17B10ALDH1A1GRIN2B
SCHEMBL7717283 0.65 GRIN2D (0.61) KDM1ALMNAHSD17B10ALDH1A1GRIN2B

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-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US disclosed