SCHEMBL11507010

SCHEMBL11507010

Cc1nn(C(C)c2ccc(Cl)c(Cl)c2)c(OS(=O)(=O)c2ccccc2F)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PDE2A O00408 2/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL11509135 0.79 KMT2A (0.41) GPR139MEN1NPC1KMT2A
SCHEMBL11459799 0.74 MEN1 (0.32) HTR6CYP2D6MEN1NPC1RAB9A
SCHEMBL11508181 0.74 PTGDR2 (0.38) PTGS1GPR139SLC6A2SLC6A4SLC6A3
SCHEMBL11507240 0.72 PDE2A (0.37) CNR1PTGS1CNR2SLC6A3PDE2A
SCHEMBL11507679 0.72 PTGDR2 (0.41) PTGS1GPR139SLC6A2SLC6A4SLC6A3
SCHEMBL11559647 0.71 GPR139 (0.34) PTGS1GPR139PSEN1PSEN2APH1B
SCHEMBL11509760 0.69 GPR139 (0.34) PTGS1GPR139
SCHEMBL11507201 0.69 PTGS1 (0.36) PTGS1SLC6A3
SCHEMBL11465083 0.69 APEX1 (0.37) PTGS1MEN1KMT2A
SCHEMBL11463589 0.67 MAP3K14 (0.43) GPR139MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US claimed
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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