SCHEMBL20869792

SCHEMBL20869792

CC(C)(c1ccc(N)cc1)c1ccc(C(C)(c2ccc(N)cc2)c2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 6/20 0.46
ESR1 P03372 5/20 0.46
ESR2 Q92731 4/20 0.46
ESRRG P62508 2/20 0.46
TSHR P16473 2/20 0.46
HTR6 P50406 2/20 0.46
AR P10275 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KIF11 P52732 1/20 0.41

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
SCHEMBL126726 0.92 CYP3A4 (0.52) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL108051 0.92 CYP3A4 (0.52) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL1729158 0.92 CYP3A4 (0.52) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL2202087 0.92 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL25286965 0.91 ESR1 (0.54) ALDH1A1MAPTMAPK1HPGDNPC1
Ammonia Solution, Strong SCHEMBL9579949 0.89 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1HPGDNPC1
Hydrochloric Acid SCHEMBL8641636 0.89 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL20347021 0.87 ALDH1A1 (0.68) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL10631366 0.84 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1HPGDNPC1
SCHEMBL10391392 0.84 KIF11 (0.58) ALDH1A1MAPTMAPK1HPGDNPC1

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
WO-2020031958-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE SHEET, CURED FILMS OF THESE PRODUCTS AND METHODS FOR PRODUCING SAID CURED FILMS, AND ELECTRONIC COMPONENT 東レ株式会社 2020-02-13 WO disclosed
WO-2019065562-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE SHEET, CURED FILM THEREOF, MANUFACTURING METHOD THEREFOR, AND HOLLOW CONSTRUCT AND ELECTRONIC COMPONENT USING SAME 東レ株式会社 2019-04-04 WO disclosed