SCHEMBL8935046

SCHEMBL8935046

N=C(N)N(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 3/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL1797820 0.82 ALDH1A1 (0.58) ALDH1A1F2F10F12F7
SCHEMBL7529429 0.82 ALDH1A1 (0.58) ALDH1A1F2F10F12F7
SCHEMBL36862 0.82 ALDH1A1 (0.58) ALDH1A1F2F10F12F7
Hydrochloric Acid SCHEMBL5813799 0.80 ALDH1A1 (0.56) ALDH1A1F2F10F12F7
Guanidine SCHEMBL8779271 0.80 ALDH1A1 (0.56) ALDH1A1F2F10F12F7
Fluoride SCHEMBL28947959 0.80 ALDH1A1 (0.56) ALDH1A1F2F10F12F7
Bromide SCHEMBL668726 0.80 ALDH1A1 (0.56) ALDH1A1F2F10F12F7
Hydrogen Sulfide SCHEMBL3400123 0.80 ALDH1A1 (0.56) ALDH1A1F2F10F12F7
Ammonia Solution, Strong SCHEMBL5961421 0.80 ALDH1A1 (0.56) ALDH1A1F2F10F12F7
Bromide SCHEMBL28711068 0.78 ALDH1A1 (0.54) ALDH1A1F2F10F12F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62201824-A None JP disclosed
JP-62201827-A None JP disclosed
JP-1304881-A None JP disclosed
JP-8176015-A None JP disclosed
CN-104193750-B Suppress mitotic Compounds and methods for by suppressing aurora kinase 千禧药品公司 2018-04-27 CN disclosed
US-20150259566-A1 METHODS FOR PROVIDING A LOW GLOSS POLYURETHANE COATING ON A SUBSTRATE BAYER MATERIALSCIENCE LLC (US) 2015-09-17 US disclosed
WO-2015138227-A1 METHODS FOR PROVIDING A LOW GLOSS POLYURETHANE COATING ON A SUBSTRATE BAYER MATERIALSCIENCE LLC (US) 2015-09-17 WO disclosed
CN-103351352-A Novel synthetic method for 5-phenyl tetrazole NANTONG HUAFENG CHEMICAL CO 2013-10-16 CN disclosed
CN-101198601-B Methods and intermediates for the preparation of optionally radio-labeled imatinib NOVARTIS AG 2011-09-07 CN disclosed
CN-101198601-A Methods and intermediates for the preparation of optionally radio-labeled imatinib NOVARTIS AG (CH) 2008-06-11 CN disclosed
JP-H08176015-A COMPOSITION CONTAINING IMMUNOGLOBULIN GREEN CROSS CORP:THE 1996-07-09 JP disclosed
JP-H01304881-A PRODUCTION OF UROKINASE PRECURSOR GREEN CROSS CORP:THE 1989-12-08 JP disclosed
JP-S62201827-A PRODUCTION OF IMMUNOGLOBULIN GREEN CROSS CORP:THE 1987-09-05 JP disclosed
JP-S62201824-A PRODUCTION OF BLOOD COAGULATION FACTOR IX COMPOSITE GREEN CROSS CORP:THE 1987-09-05 JP disclosed
US-3881018-A Substituted amidophenylguanidine fungicides BAYER AG 1975-04-29 US disclosed
US-3881018-A Substituted amidophenylguanidine fungicides BAYER AG 1975-04-29 US disclosed
US-3869503-A Substituted amidophenylguanidines BAYER AG 1975-03-04 US disclosed
US-3869503-A Substituted amidophenylguanidines BAYER AG 1975-03-04 US disclosed