SCHEMBL11509774

SCHEMBL11509774

Cc1cc(OS(=O)(=O)c2cccc(Cl)c2)n(C(C)c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 3/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ CASR P41180 2/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ CCR5 P51681 1/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ MAT2A P31153 1/20 0.34

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
SCHEMBL11508675 0.85 CASR (0.36) CASRBRD4F2
SCHEMBL11509561 0.79 LMNA (0.43) KCNN4CASRNPY5RBRD4
SCHEMBL11508354 0.70 HTR2C (0.36) —
SCHEMBL11508918 0.67 VCAM1 (0.39) —
SCHEMBL11452734 0.65 PTGS2 (0.37) KDM1A
SCHEMBL11508868 0.65 LMNA (0.45) BRD4
SCHEMBL11615849 0.64 HPGD (0.35) F2
SCHEMBL11617148 0.63 SMN1; SMN2 (0.42) F2
SCHEMBL4784095 0.62 DAO (0.48) HSD11B1
SCHEMBL5905919 0.62 DAO (0.46) KCNN4BRD4HSD11B1

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
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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