SCHEMBL11510264

SCHEMBL11510264

Cc1cc(OC(=O)c2nccs2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 0.37
▸ GPR139 Q6DWJ6 2/20 0.35
▸ OGA O60502 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ RBBP9 O75884 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL11509267 0.81 KDM4E (0.40) MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL11507210 0.81 POLB (0.44) GPR139MAPT
SCHEMBL11509784 0.81 PTGS1 (0.38) GPR139OGA
SCHEMBL11507489 0.80 KMT2A (0.45) GPR139CASP3SENP8SENP7SENP6
SCHEMBL11508802 0.80 GRM5 (0.34) GRM5GPR139OGA
SCHEMBL11508328 0.80 OGA (0.35) GPR139OGAMAPT
SCHEMBL11507137 0.79 PTGS1 (0.37) GPR139OGAMAPTCYP2C19
SCHEMBL11507587 0.79 POLB (0.39) MAPT
SCHEMBL11510661 0.79 SLC6A3 (0.38) GPR139MAPT
SCHEMBL11507274 0.79 SLC6A3 (0.38) GPR139

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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