SCHEMBL11249892

SCHEMBL11249892

OC(C#CBr)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP19A1 P11511 7/20 0.41
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MIF P14174 1/20 0.35
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL11250000 0.92 MEN1 (0.41) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL11256588 0.89 CYP19A1 (0.59) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL11250364 0.86 CYP19A1 (0.47) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL11256928 0.82 TSHR (0.43) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL11251144 0.82 CYP19A1 (0.47) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL11258472 0.78 MEN1 (0.46) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL31261832 0.77 KDM4E (0.47) MEN1KMT2ATSHRCHRM2CHRM3
SCHEMBL11242169 0.75 MEN1 (0.39) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL11286839 0.74 CYP19A1 (0.37) MEN1KMT2ACYP19A1CYP1A2CYP3A4
SCHEMBL612020 0.73 MEN1 (0.50) MEN1KMT2ATSHRMAPK1HIF1A

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
US-4322442-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed