SCHEMBL1380435

SCHEMBL1380435

O=C(O)Oc1cc(Oc2cccc(-c3c[nH]c(C(=O)Nc4ccc(Br)c(C(F)(F)F)c4)c3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 2/20 0.41
XBP1 P17861 1/20 0.41
RET P07949 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 1/20 0.39
KDR P35968 4/20 0.39
CDK8 P49336 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38

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
SCHEMBL9105151 0.92 RAF1 (0.50) RAF1MAPTMEN1KMT2ALMNA
SCHEMBL4466716 0.86 RAF1 (0.65) RAF1MEN1KMT2ARETKDR
SCHEMBL9101755 0.82 RET (0.55) RAF1MEN1KMT2ARETKDR
SCHEMBL9098846 0.78 KDR (0.49) RAF1MAPTRETKDRCDK8
SCHEMBL4466558 0.76 RET (0.71) RAF1MEN1KMT2ARETKDR
SCHEMBL9099762 0.76 KDR (0.42) RAF1MAPTRETRAB9AKDR
SCHEMBL5724635 0.75 KDR (0.53) RAF1RETRAB9AKDRCDK8
SCHEMBL9100193 0.75 CDK8 (0.42) RAF1MEN1KMT2ALMNARET
SCHEMBL9102135 0.74 RAF1 (0.55) RAF1MEN1KMT2ARETKDR
SCHEMBL9102040 0.74 CDK8 (0.45) MAPTMEN1KMT2ALMNARET

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
JP-4805839-B2 2011-11-02 JP claimed