SCHEMBL8167408

SCHEMBL8167408

c1ccc(CN=Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 4/20 0.43
TRPA1 O75762 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MIF P14174 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.41
CALM1 P0DP23 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL10814254 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1TDP1MIF
SCHEMBL10095147 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1TDP1MIF
SCHEMBL8519566 0.85 MEN1 (0.59) ALDH1A1TRPA1TDP1MEN1KMT2A
SCHEMBL17178869 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1MIFCYP3A4
SCHEMBL19611522 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1MIFCYP3A4
SCHEMBL15506263 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1MIFCYP3A4
SCHEMBL21469244 0.78 CYP1A2 (0.47) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3547143 0.76 ALDH1A1 (0.61) ALDH1A1TSHRTRPA1TDP1MIF
SCHEMBL253886 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTRPA1MIFCYP3A4
SCHEMBL12198798 0.73 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1TDP1CYP1A1

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
WO-2000053649-A1 STYRENIC GRAFT COPOLYMER AND METHOD OF PREPARING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-09-14 WO disclosed
EP-0288434-A1 Process for the manufacture of concentrated aqueous dye preparations CIBA-GEIGY AG (CH) 1988-10-26 EP disclosed
EP-0138750-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED BENZIMIDAZOLES CIBA-GEIGY AG (CH) 1987-09-09 EP disclosed
EP-0138760-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED ORTHO-PHENYLENE-DIAMINES CIBA-GEIGY AG (CH) 1986-12-10 EP disclosed
EP-0138760-A1 Process for the preparation of N-substituted ortho-phenylene-diamines CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
EP-0138750-A1 Process for the production of substituted benzimidazoles CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed