SCHEMBL6680282

SCHEMBL6680282

CCCCc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.46
POLB P06746 1/20 0.44
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR8 Q9NR97 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL6686050 0.95 NCEH1 (0.45) NCEH1POLBGAATDP1TLR8
SCHEMBL6684951 0.93 LIPG (0.45) NCEH1POLBGAATDP1TLR8
SCHEMBL6680888 0.93 LIPG (0.45) NCEH1POLBGAATDP1TLR8
SCHEMBL6679055 0.93 LIPG (0.45) NCEH1POLBGAATDP1TLR8
SCHEMBL6680376 0.89 POLB (0.47) NCEH1POLBGAATDP1NPC1
SCHEMBL7388022 0.82 POLB (0.48) NCEH1POLBGAATDP1NPC1
SCHEMBL8850092 0.81 GABRA1 (0.52) NCEH1POLBTDP1NPC1RAB9A
SCHEMBL30640504 0.81 GABRA1 (0.52) NCEH1POLBTDP1NPC1RAB9A
SCHEMBL2128314 0.80 TSHR (0.48) NCEH1GAATDP1L3MBTL1TLR8
SCHEMBL761100 0.80 NCEH1 (0.51) NCEH1GAATDP1L3MBTL1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-RE30279-E FROM ALKYL OR ARYL HALIDE WITH HALO-SUBSTITUTED TRIVALENT PHOSPHORUS COMPOUNDS AND PHOSPHORUS PENTASULFIDE OR -OXIDE STAUFFER CHEMICAL COMPANY (US) 1980-05-20 US disclosed
US-4076746-A FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE STAUFFER CHEMICAL COMPANY (US) 1978-02-28 US disclosed
US-3989746-A ANALGESICS, ANTIINFLAMMATORY AGENTS IKEDA MOHANDO CO., LTD. (JA) 1976-11-02 US disclosed