SCHEMBL6821095

SCHEMBL6821095

Cc1c(O)c2cc(Br)ccc2n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.60
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
PTGS2 P35354 1/20 0.46
HTT P42858 1/20 0.46
PLA2G1B P04054 1/20 0.45
SRC P12931 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
SCHEMBL6823481 0.85 KMT2A (0.63) PLA2G2AKMT2ALMNAGAAMAPT
SCHEMBL3854526 0.85 PLA2G2A (0.59) PLA2G2AKMT2ALMNAALDH1A1TSHR
SCHEMBL3855495 0.82 PLA2G2A (0.65) PLA2G2AKMT2ALMNAALDH1A1TSHR
SCHEMBL6920117 0.82 CA12 (0.48) PLA2G2AKMT2ALMNAGAAMAPT
SCHEMBL31222301 0.81 CYP19A1 (0.60) PLA2G2AKMT2ALMNAMAPTALDH1A1
SCHEMBL2244878 0.81 CYP19A1 (0.60) PLA2G2AKMT2ALMNAMAPTALDH1A1
SCHEMBL6820689 0.81 PLA2G2A (0.68) PLA2G2AKMT2ALMNAMAPTPKM
SCHEMBL2246814 0.77 CYP19A1 (0.70) PLA2G2AKMT2AMAPTALDH1A1MAPK1
SCHEMBL3855156 0.76 GRIK2 (0.50) PLA2G2AKMT2ALMNAGAAALDH1A1
SCHEMBL17969632 0.76 NPC1 (0.51) PLA2G2AKMT2ALMNACA12CA2

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
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed