SCHEMBL12440802

SCHEMBL12440802

CBCc1ccc(C(=O)Nc2ccc3c(c2)Cc2cc(NC(=O)c4ccc(CC)cc4)ccc2-3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 8/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
MCHR1 Q99705 1/20 0.48
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL12440780 0.85 RAB9A (0.54) KDM4EALDH1A1MAPTRAB9ALMNA
SCHEMBL18177280 0.81 RAB9A (0.49) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL12440789 0.81 NR1H4 (0.52) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12440794 0.81 PLK1 (0.53) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL12440769 0.80 NPC1 (0.56) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL2025335 0.78 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL12440880 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL12440772 0.78 PGR (0.51) KDM4EALDH1A1MAPTRAB9ALMNA
SCHEMBL12440801 0.78 F2 (0.47) KDM4EALDH1A1MAPTRAB9ALMNA
SCHEMBL12440805 0.78 F2 (0.47) KDM4EALDH1A1MAPTRAB9ANPC1

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 2 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-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