SCHEMBL11508552

SCHEMBL11508552

Cc1cc(OC(=O)c2csnn2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 5/20 0.34
▸ HTT P42858 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ OGA O60502 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ THRB P10828 2/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL11507210 0.83 POLB (0.44) ALDH1A1SMN1; SMN2POLBRAB9AMAPT
SCHEMBL11509784 0.81 PTGS1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTPTGS1
SCHEMBL11454234 0.79 MAP3K14 (0.37) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL11507137 0.79 PTGS1 (0.37) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL11509267 0.79 KDM4E (0.40) ALDH1A1SMN1; SMN2POLBLMNAMAPT
SCHEMBL11509078 0.79 GRM4 (0.38) ALDH1A1PTGS1GPR139EGLN1
SCHEMBL11510178 0.79 GPR139 (0.37) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL11510661 0.79 SLC6A3 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL11507274 0.79 SLC6A3 (0.38) ALDH1A1SMN1; SMN2LMNAHTTPTGS1
SCHEMBL11507580 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHTTPTGS1

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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