SCHEMBL3660883

SCHEMBL3660883

Brc1cc2cccc3c4cccc5cccc(c(c1Br)c23)c54.O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL30423759 0.82 HSD17B10 (0.57) HSD17B10KMT2ACYP1A2MEN1KDM4E
SCHEMBL235518 0.82 HSD17B10 (0.57) HSD17B10KMT2ACYP1A2MEN1KDM4E
SCHEMBL29386870 0.82 CYP1A2 (0.47) HSD17B10KMT2ACYP1A2MEN1ALDH1A1
SCHEMBL1188389 0.82 CYP1A2 (0.47) HSD17B10KMT2ACYP1A2MEN1ALDH1A1
SCHEMBL27568692 0.82 HSD17B10 (0.57) HSD17B10KMT2ACYP1A2MEN1KDM4E
SCHEMBL16588828 0.82 KMT2A (0.42) HSD17B10KMT2ACYP1A2MEN1KDM4E
Bicarbonate SCHEMBL1128136 0.80 CYP1A2 (0.35) HSD17B10KMT2ACYP1A2MEN1KDM4E
SCHEMBL28009277 0.79 KMT2A (0.49) HSD17B10KMT2ACYP1A2MEN1KDM4E
Biphenyl SCHEMBL22717168 0.78 CYP1A2 (0.44) HSD17B10KMT2ACYP1A2MEN1KDM4E
SCHEMBL9153213 0.78 GAA (0.37) HSD17B10KMT2ACYP1A2MEN1KDM4E

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-2240530-A1 PERYLENE-IMIDE SEMICONDUCTOR POLYMERS BASF SE (DE) 2010-10-20 EP disclosed
WO-2009098250-A1 PERYLENE-IMIDE SEMICONDUCTOR POLYMERS BASF SE (DE) 2009-08-13 WO disclosed