SCHEMBL9895153

SCHEMBL9895153

Sc1nncn1-c1ccccc1.[KH]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.37
NOTUM Q6P988 1/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
FGFR1 P11362 1/20 0.33

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
SCHEMBL1151405 0.98 MAPK1 (0.41) MAPK1KMT2AHTTOPRD1OPRM1
SCHEMBL4904989 0.96 MAPK1 (0.41) MAPK1KMT2AHTTOPRD1OPRM1
SCHEMBL9896466 0.96 MAPK1 (0.41) MAPK1KMT2AHTTOPRD1OPRM1
SCHEMBL10704627 0.78 EP300 (0.37) KMT2ANOTUMMEN1ALDH1A1SMN1; SMN2
SCHEMBL14112937 0.78 MAPK1 (0.43) MAPK1NOTUMMAPTPKM
SCHEMBL14204086 0.76 OPRD1 (0.57) KMT2AOPRD1OPRM1MEN1ALDH1A1
SCHEMBL10719067 0.76 KMT2A (0.46) KMT2AOPRD1OPRM1NOTUMMAPT
SCHEMBL6536920 0.76 MAPT (0.43) KMT2AOPRD1OPRM1MEN1MAPT
SCHEMBL2545002 0.75 TDP1 (0.45) NOTUMMAPTALDH1A1L3MBTL1
SCHEMBL14363873 0.74 RAB9A (0.58) KMT2AHTTMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139512-B2 Absorbent solution containing a degradation inhibitor derived from a triazole or from a tetrazole and method of absorbing acid compounds contained in a gaseous effluent IFP Energies Nouvelles (FR) 2015-09-22 US claimed
EP-2459518-B1 ABSORBENT SOLUTION CONTAINING A DEGRADATION INHIBITOR DERIVED FROM A TRIAZOLE OR FROM A TETRAZOLE AND PROCESS FOR THE ABSORPTION OF ACID COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2013-12-11 EP claimed
US-20120148463-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION INHIBITOR DERIVED FROM A TRIAZOLE OR FROM A TETRAZOLE AND METHOD OF ABSORBING ACID COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2012-06-14 US claimed
US-9139512-B2 Absorbent solution containing a degradation inhibitor derived from a triazole or from a tetrazole and method of absorbing acid compounds contained in a gaseous effluent IFP Energies Nouvelles (FR) 2015-09-22 US disclosed
US-20120148463-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION INHIBITOR DERIVED FROM A TRIAZOLE OR FROM A TETRAZOLE AND METHOD OF ABSORBING ACID COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2012-06-14 US disclosed