SCHEMBL11510266

SCHEMBL11510266

CCc1ccc(OP(=O)(Cl)Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ SRC P12931 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ XBP1 P17861 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PKM P14618 1/20 0.39

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
SCHEMBL11511370 0.93 SMN1; SMN2 (0.61) CYP2C19SMN1; SMN2L3MBTL1RAB9APOLB
SCHEMBL1958568 0.85 CYP2C19 (0.58) CYP2C19SMN1; SMN2L3MBTL1KDM4ETP53
SCHEMBL380836 0.85 CYP2C19 (0.58) CYP2C19SMN1; SMN2L3MBTL1KDM4ETP53
SCHEMBL122230 0.82 SRC (0.58) CYP2C19L3MBTL1KDM4ETP53SRC
SCHEMBL23501799 0.82 CYP2C19 (0.64) CYP2C19SMN1; SMN2L3MBTL1KDM4ETP53
SCHEMBL3755582 0.81 SMN1; SMN2 (0.61) CYP2C19SMN1; SMN2L3MBTL1RAB9APOLB
Methylene Chloride SCHEMBL29220060 0.81 SRC (0.52) CYP2C19L3MBTL1KDM4ESRCHTT
Water SCHEMBL7889250 0.80 SRC (0.56) L3MBTL1KDM4ETP53SRCHTT
SCHEMBL8521617 0.80 L3MBTL1 (0.49) L3MBTL1TP53POLBSRCHTT
SCHEMBL5852173 0.79 SMN1; SMN2 (0.70) CYP2C19SMN1; SMN2KDM4ERAB9APOLB

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-4144290-A Production of bromoaryl chlorophosphates BAYER AKTIENGESELLSCHAFT (DE) 1979-03-13 — — US disclosed
Send feedback