SCHEMBL23609707

SCHEMBL23609707

O=C(CCCl)Nc1ccc(Br)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SOAT1 P35610 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL3907636 0.81 ALDH1A1 (0.51) NPC1MEN1KMT2AMAPTALDH1A1
SCHEMBL15823673 0.81 ALDH1A1 (0.57) NPC1MEN1KMT2AMAPTCYP1A2
SCHEMBL26766823 0.78 MAPK1 (0.79) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL29975192 0.78 PTGDR2 (0.40) MAPK1MEN1KMT2AMAPTCYP1A2
SCHEMBL23579692 0.78 PTGDR2 (0.40) MAPK1MEN1KMT2AMAPTCYP1A2
SCHEMBL14780242 0.78 MAPK1 (0.54) MAPK1NPC1MEN1KMT2AMAPT
SCHEMBL30307389 0.78 ALDH1A1 (0.56) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL99089 0.78 ALDH1A1 (0.56) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL23609805 0.76 GSK3B (0.47) MAPK1NPC1MEN1KMT2AMAPT
SCHEMBL18496233 0.73 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1TDP1

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
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed