SCHEMBL28117639

SCHEMBL28117639

Oc1ccc(Cc2c[nH]nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 2/20 0.48
MIF P14174 3/20 0.40
CD74 P04233 1/20 0.38
MET P08581 1/20 0.38
IDO1 P14902 2/20 0.38
KEAP1 Q14145 1/20 0.37
ABAT P80404 1/20 0.35
PTPN1 P18031 1/20 0.35
CA2 P00918 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL6944017 0.81 CYP3A4 (0.48) CA2SIGMAR1
SCHEMBL5048432 0.80 ESR1 (0.46) ESR1ESR2CA2TAAR1SLC6A2
SCHEMBL29272 0.80 ALDH1A1 (0.46) MIFCD74TAAR1
Benzene SCHEMBL27499662 0.80 ALDH1A1 (0.46) MIFCD74TAAR1
SCHEMBL31132412 0.79 HTR1B (0.45) TAAR1
SCHEMBL9508013 0.78 ALDH1A1 (0.44) MIFCD74TAAR1
SCHEMBL28326701 0.78 HTR1D (0.45) IDO1
SCHEMBL3918469 0.78 LTA4H (0.48) MIFIDO1
SCHEMBL27034778 0.78 ALDH1A1 (0.37) ABAT
SCHEMBL1818072 0.77

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
CN-106332545-B Sprayable sunscreen composition and method 伊诺莱克斯投资公司 2019-11-26 CN disclosed
CN-106332545-A Sprayable sunscreen compositions and methods 伊诺莱克斯投资公司 2017-01-11 CN disclosed