SCHEMBL9833934

SCHEMBL9833934

CCC(=O)Nc1cc(Cl)[c]cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.41
THRB P10828 1/20 0.40
HTT P42858 2/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 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
SCHEMBL21765858 0.80 CYP3A4 (0.56) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11577300 0.77 CYP3A4 (0.58) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL17680989 0.72 KMT2A (0.77) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10344607 0.71 CYP3A4 (0.56) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL30116158 0.71 ALDH1A1 (0.56) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL20597334 0.71 ALDH1A1 (0.56) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL12900894 0.71 ALDH1A1 (0.56) CYP3A4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9834863 0.71 HDAC1 (0.60) KMT2AMEN1KDM4ESMN1; SMN2RAB9A
SCHEMBL10344761 0.70 CYP3A4 (0.58) CYP3A4ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11578349 0.69 HPGD (0.65) CYP3A4ALDH1A1KMT2AMEN1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227980-B1 FLUORESCENT AROXYSUBSTITUTED 3,4,9,10-PERYLENETETRACARBOXYLIC ACID-DIIMIDES AND THEIR USE FOR THE CONCENTRATION OF LIGHTS IN SMALL AREAS BASF Aktiengesellschaft (DE) 1991-10-09 EP disclosed
US-4845223-A FLUORESCENT PERYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0227980-A2 Fluorescent aroxysubstituted 3,4,9,10-perylenetetracarboxylic acid-diimides and their use for the concentration of lights in small areas BASF Aktiengesellschaft (DE) 1987-07-08 EP disclosed
US-4379934-A Process for two-dimensionally concentrating light, and novel perylene-3,4,9,10-tetracarboxylic acid diimides BASF AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
EP-0033079-A1 Perylene-3,4,9,10-tetracarboxylic-acid diimides and their use BASF Aktiengesellschaft (DE) 1981-08-05 EP disclosed