SCHEMBL11508658

SCHEMBL11508658

CC(=O)Oc1cc(C)nn1CCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FPR1 P21462 1/20 0.44
▸ NPBWR1 P48145 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ KDM4A O75164 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ CD38 P28907 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIRT5 Q9NXA8 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
SCHEMBL11508314 0.81 KMT2A (0.42) MAPTALOX15KMT2AFPR1NPBWR1
SCHEMBL11508897 0.79 MAPT (0.46) MAPTALOX15KMT2AFPR1NPBWR1
SCHEMBL11506620 0.78 ATG4B (0.47) MAPTALOX15KMT2AFPR1NPBWR1
SCHEMBL11612294 0.74 RAB9A (0.48) MAPTALOX15KMT2ALMNAHPGD
SCHEMBL11464795 0.73 NPBWR1 (0.41) MAPTKMT2ANPBWR1LMNAHPGD
SCHEMBL11612842 0.73 KMT2A (0.52) MAPTALOX15KMT2ALMNAHPGD
SCHEMBL11619251 0.71 SLC22A12 (0.51) MAPTKMT2ANPBWR1LMNAHPGD
SCHEMBL27815550 0.71 MAPT (0.43) MAPTALOX15KMT2ALMNA
SCHEMBL16578524 0.67 MTNR1A (0.41) MAPTLMNAHPGDCMA1KDM4A
SCHEMBL6989892 0.67 CDYL (0.53) KMT2AMTNR1ASIRT5

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-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — 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-4122280-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-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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