SCHEMBL3376277

SCHEMBL3376277

CNOC.Cc1ccc2c(=O)c(C(=O)O)cn(Cc3cccc(Br)n3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCC4 O15439 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
ACKR3 P25106 1/20 0.49
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
RXFP1 Q9HBX9 4/20 0.47
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1020308 0.93 LMNA (0.64) MEN1KMT2AABCC4LMNAPKM
SCHEMBL1073552 0.84 KMT2A (0.57) MEN1KMT2AABCC4LMNAPKM
SCHEMBL1022198 0.83 TSHR (0.59) MEN1KMT2AABCC4LMNAPKM
SCHEMBL1073554 0.83 MAPT (0.48) MEN1KMT2AABCC4LMNAPKM
SCHEMBL1073114 0.81 ACKR3 (0.60) ACKR3MAPTTP53RXFP1POLB
SCHEMBL1022142 0.81 ACKR3 (0.73) LMNAACKR3MAPTTP53RXFP1
SCHEMBL13069024 0.81 LMNA (0.64) MEN1KMT2AABCC4LMNAPKM
SCHEMBL1075564 0.80 ACKR3 (0.58) MEN1KMT2AABCC4LMNAPKM
SCHEMBL1074330 0.77 MAPT (0.58) ACKR3MAPTTP53RXFP1POLB
SCHEMBL1022692 0.75 MEN1 (0.52) MEN1KMT2AABCC4LMNAPKM

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
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed