SCHEMBL2022473

SCHEMBL2022473

Cc1cc(NC(=O)c2ccc(CCl)cc2)c(Cl)cc1NC(=O)c1ccc(CCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 4/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL2022650 0.93 POLB (0.59) KMT2APOLBSMN1; SMN2RAB9ANPC1
SCHEMBL2025734 0.91 NPC1 (0.52) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL12514756 0.88 KMT2A (0.55) KMT2APOLBSMN1; SMN2RAB9ANPC1
SCHEMBL2024401 0.81 NR1H4 (0.53) KMT2APOLBSMN1; SMN2RAB9ANPC1
SCHEMBL12440765 0.81 NPC1 (0.54) KMT2APOLBSMN1; SMN2RAB9ANPC1
SCHEMBL2024320 0.80 POLB (0.59) KMT2APOLBSMN1; SMN2RAB9ANPC1
SCHEMBL14205642 0.78 RAB9A (0.70) KMT2ASMN1; SMN2RAB9ANPC1TAS1R3
SCHEMBL18177271 0.76 NPC1 (0.49) KMT2APOLBSMN1; SMN2RAB9ANPC1
SCHEMBL6486638 0.76 NPC1 (0.60) KMT2APOLBRAB9ANPC1MAPT
SCHEMBL12440836 0.76 NPC1 (0.48) KMT2APOLBSMN1; SMN2RAB9ANPC1

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-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
EP-2330143-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 Advanced Industrial Science And Technology (JP) 2011-06-08 EP disclosed