SCHEMBL10769332

SCHEMBL10769332

C=C(c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1)c1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.63
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 1/20 0.61
GFER P55789 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HSD17B10 Q99714 1/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CA1 P00915 4/20 0.59
CA9 Q16790 4/20 0.59
CA2 P00918 3/20 0.59
CA4 P22748 2/20 0.59
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
HPSE Q9Y251 1/20 0.57
CA12 O43570 2/20 0.56
SCN2A Q99250 1/20 0.56

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
SCHEMBL4230581 0.90 S100B (0.74) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL9803540 0.88 TDP1 (0.72) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL9458520 0.86 TDP1 (0.77) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL9564308 0.86 HSD17B10 (0.72) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL1618163 0.84 KMT2A (0.76) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL9339007 0.84 CA9 (0.77) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL4234750 0.83 CA9 (0.77) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL29549557 0.81 TYMS (0.71) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL7825377 0.81 TYMS (0.71) S100BMEN1KMT2AALDH1A1MAPT
SCHEMBL5012357 0.81 HSD17B10 (0.66) S100BMEN1KMT2AALDH1A1MAPT

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-0225529-A2 Wholly aromatic mesogenic polyesteramideimides, their fabrication and their use BASF Aktiengesellschaft (DE) 1987-06-16 EP disclosed