SCHEMBL9703939

SCHEMBL9703939

CCCN(CCC)c1ccc(-n2nc3ccc(Br)cc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.40
MEN1 O00255 11/20 0.40
KMT2A Q03164 11/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 13/20 0.39
MAPT P10636 8/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 2/20 0.36

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
SCHEMBL9704277 0.89 MAPT (0.44) NPC1MEN1KMT2APKMRAB9A
SCHEMBL3048501 0.81 ALOX5 (0.50) NPC1MEN1KMT2APKMRAB9A
SCHEMBL14281095 0.78 NPC1 (0.49) NPC1MEN1KMT2APKMRAB9A
SCHEMBL10999006 0.76 TERT (0.51) NPC1MEN1KMT2APKMRAB9A
SCHEMBL1432811 0.73 DRD2 (0.44) NPC1MEN1KMT2AMAPTKDM4E
SCHEMBL3422262 0.72 NPC1 (0.53) NPC1MEN1KMT2APKMRAB9A
SCHEMBL17796896 0.72 NPC1 (0.65) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL8621203 0.72 KDM4E (0.63) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL10999725 0.71 NPC1 (0.51) NPC1MEN1KMT2APKMRAB9A
SCHEMBL3229472 0.71 NPC1 (0.63) NPC1MEN1KMT2APKMRAB9A

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-0476519-A1 Photopolymerisable composition and recording material produced therefrom MORTON INTERNATIONAL, INC. (US) 1992-03-25 EP disclosed