SCHEMBL8328906

SCHEMBL8328906

CCCCC(C(=O)O)=C(Nc1ccccc1Br)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CETP P11597 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
EGFR P00533 1/20 0.40
SOAT1 P35610 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7823722 0.81 MEN1 (0.55) KMT2AMEN1HTTALDH1A1SOAT1
SCHEMBL8413639 0.79 CETP (0.42) KMT2AMEN1LMNARAB9AALDH1A1
SCHEMBL8413637 0.79 CETP (0.42) KMT2AMEN1LMNARAB9AALDH1A1
SCHEMBL9901469 0.74 CETP (0.67) LMNARAB9ACETPTSHRSOAT1
SCHEMBL28063097 0.72 MAPK1 (0.67) KMT2AMEN1LMNARAB9AHTT
SCHEMBL21059262 0.70 SMN1; SMN2 (0.66) LMNARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL21059252 0.69 SMN1; SMN2 (0.54) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL6361102 0.69 KMT2A (0.57) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL21059102 0.69 SMN1; SMN2 (0.60) LMNARAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL7836111 0.69 MEN1 (0.56) KMT2AMEN1LMNARAB9ANPC1

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
EP-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP disclosed
EP-0498721-A1 N-substituted quinoline derivatives, process for their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed