SCHEMBL27897630

SCHEMBL27897630

Fc1ccc2sc(-c3ccccc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.57
▸ NFKB1 P19838 5/20 0.55
▸ NFKB2 Q00653 5/20 0.55
▸ RELA Q04206 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ APP P05067 7/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ PKM P14618 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52

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
SCHEMBL2139108 0.86 APP (0.71) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL5691159 0.83 APP (0.77) AHRKDM4ENFKB1NFKB2RELA
SCHEMBL10706363 0.83 APP (0.68) AHRKDM4ENFKB1NFKB2RELA
SCHEMBL4804942 0.83 APP (0.68) AHRKDM4ENFKB1NFKB2RELA
SCHEMBL4797697 0.83 NFKB1 (0.68) AHRKDM4ENFKB1NFKB2RELA
SCHEMBL3187010 0.81 KDM4E (0.68) KDM4ENFKB1NFKB2RELANPC1
Dimethylamine SCHEMBL27718704 0.81 APP (0.72) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL27897607 0.81 AHR (0.57) AHRKDM4ENFKB1NFKB2RELA
SCHEMBL10710841 0.81 AHR (0.57) AHRKDM4ENFKB1NFKB2RELA
SCHEMBL2138056 0.81 KDM4E (0.58) KDM4ENFKB1NFKB2RELANPC1

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-103992291-B Method for synthesizing 2-substituted benzothiazole derivative NANJING TECH UNIVERSITY (CN) 2016-02-10 — — CN disclosed
CN-102977051-A Method for synthesizing 2-substituted benzothiazole derivative UNIV HUNAN 2013-03-20 — — CN disclosed
Send feedback