SCHEMBL2884844

SCHEMBL2884844

[c]1ccc(/N=N/c2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.32
GLB1 P16278 1/20 0.32
CTRB1 P17538 1/20 0.32
CTRC Q99895 1/20 0.32

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
SCHEMBL148166 0.88 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL148167 0.88 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL22637422 0.88 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL11420808 0.84 NPC1 (0.48) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL146201 0.84 CCNT1 (0.41) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL146200 0.84 CCNT1 (0.41) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL28263177 0.82
SCHEMBL7536630 0.78 MAPK1 (0.63) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL150449 0.78 MAOA (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2057403 0.78 MAPK1 (0.63) ALDH1A1MEN1KMT2ANPC1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4371467-A HYDROLYSIS OF BASIC SALT DAINIPPON INK AND CHEMICALS INC. (JP) 1983-02-01 US claimed
JP-9118673-A None JP disclosed
US-20120274888-A1 OPTICALLY ANISOTROPIC SUBSTANCE JNC PETROCHEMICAL CORPORATION (JP) 2012-11-01 US disclosed
US-20100297367-A1 OPTICALLY ANISOTROPIC SUBSTANCE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
JP-H09118673-A LIQUID CRYSTAL EPOXY MONOMER AND LIQUID CRYSTAL EPOXY RESIN CORNELL RES FOUND INC 1997-05-06 JP disclosed
US-4371467-A HYDROLYSIS OF BASIC SALT DAINIPPON INK AND CHEMICALS INC. (JP) 1983-02-01 US disclosed