SCHEMBL9837512

SCHEMBL9837512

O=C(O)c1c(Cl)cccc1NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.54
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PLK1 P53350 1/20 0.49
KDM6B O15054 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47
MAPK14 Q16539 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3907119 0.80 L3MBTL1 (0.53) NPC1RAB9AKDM6BKDM4CMEN1
SCHEMBL7824620 0.78 PBRM1 (0.55) PBRM1FABP3FABP4PLK1MEN1
SCHEMBL3904040 0.76 L3MBTL1 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28762492 0.76 NPC1 (0.71) NPC1RAB9AMEN1KMT2AMAPT
Enfenamic Acid SCHEMBL25191 0.76 KDM6B (0.68) NPC1RAB9APLK1KDM6BKDM4C
SCHEMBL6537375 0.74 CCNC (0.48) RAB9AMEN1KMT2AKDM4EMAPT
Enfenamic Acid SCHEMBL10935569 0.74 KDM6B (0.66) NPC1RAB9APLK1KDM6BKDM4C
SCHEMBL28655011 0.74 KDM6B (0.57) NPC1RAB9APLK1KDM6BKDM4C
SCHEMBL3654056 0.74 EGFR (0.60) RAB9AKDM6BKDM4CMEN1KMT2A
SCHEMBL27691514 0.73 TAAR1 (0.58) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed