SCHEMBL12440844

SCHEMBL12440844

O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(CCl)cc3)cc2)cc1)c1ccc(CCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR1H4 Q96RI1 2/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
THRA P10827 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.48
PTPN1 P18031 2/20 0.47

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
SCHEMBL2021051 0.94 MEN1 (0.57) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL21674204 0.94 MEN1 (0.57) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL12440876 0.89 NR1H4 (0.62) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL20548351 0.88 KMT2A (0.61) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL20709767 0.86 RAB9A (0.73) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL31505239 0.86 NPC1 (0.60) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2997631 0.86 PTPN1 (0.65) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL11852178 0.86 PTPN1 (0.65) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2024299 0.85 PTPN1 (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL12061010 0.85 MEN1 (0.50) MEN1KMT2ARAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519040-B2 Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-08-27 US disclosed
US-8519040-B2 Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-08-27 US disclosed
US-20110178218-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Avanced Industrial Science and Technology (JP) 2011-07-21 US disclosed
US-20110178218-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Avanced Industrial Science and Technology (JP) 2011-07-21 US disclosed