SCHEMBL2789014

SCHEMBL2789014

NC(=S)NCc1ccccc1.[NaH]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 2/20 0.65
GAA P10253 3/20 0.63
MAPT P10636 3/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
IDO1 P14902 1/20 0.55
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53

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
SCHEMBL133802 0.98 ALOX12 (0.68) ALOX12ALDH1A1HPGDGAAMAPT
Bromide SCHEMBL16927550 0.96 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL4474844 0.96 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3426065 0.86 KMT2A (0.57) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL9754125 0.85 ALOX12 (0.63) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3077491 0.83 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL1056093 0.83 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3059505 0.82 ALDH1A1 (0.70) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3421753 0.81 AOC3 (0.62) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3427560 0.81 GAA (0.60) ALOX12ALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010091362-A2 TOPICAL FORMULATIONS COMPRISING ION CHANNEL MODULATORS MESH THERAPEUTICS, LLC (US) 2010-08-12 WO disclosed
CN-1229371-C Benzopyran guanidine derivatives, process for preparing the same, and pharmaceutical composition thereof KOREA RES INST CHEM TECH (KR) 2005-11-30 CN disclosed
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
CN-1382134-A Benzopyranyl guanidine derivtives, process for preparation thereof and pharmaceutical compositions containing them KOREA RES INST CHEM TECH (KR) 2002-11-27 CN disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed