SCHEMBL12440876

SCHEMBL12440876

O=C(Nc1ccc(-c2ccc(-c3ccc(NC(=O)c4ccc(CCl)cc4)cc3)cc2)cc1)c1ccc(CCl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.62
PTPN1 P18031 8/20 0.61
DEGS1 O15121 1/20 0.56
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 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
TRPV1 Q8NER1 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 1/20 0.50
PTPN11 Q06124 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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) NR1H4PTPN1POLBNPC1RAB9A
SCHEMBL21674204 0.94 MEN1 (0.57) NR1H4PTPN1POLBNPC1RAB9A
SCHEMBL12514183 0.91 PGR (0.56) NR1H4PTPN1DEGS1NPC1RAB9A
SCHEMBL12440844 0.89 MEN1 (0.52) NR1H4PTPN1POLBNPC1RAB9A
SCHEMBL20548351 0.88 KMT2A (0.61) PTPN1POLBNPC1RAB9AMEN1
SCHEMBL31505239 0.86 NPC1 (0.60) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL20709767 0.86 RAB9A (0.73) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL11852178 0.86 PTPN1 (0.65) NR1H4PTPN1POLBNPC1RAB9A
SCHEMBL2997631 0.86 PTPN1 (0.65) NR1H4PTPN1POLBNPC1RAB9A
SCHEMBL2024299 0.85 PTPN1 (0.51) NR1H4PTPN1POLBNPC1RAB9A

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