SCHEMBL11508314

SCHEMBL11508314

Cc1cc(OC(=O)c2sccc2F)n(CCc2cccc3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK8 P45983 4/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ FPR1 P21462 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 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
SCHEMBL11508658 0.81 MAPT (0.45) KMT2AMAPTALOX15NPBWR1FPR1
SCHEMBL11508897 0.76 MAPT (0.46) KMT2AMAPTALOX15NPBWR1FPR1
SCHEMBL11506620 0.75 ATG4B (0.47) KMT2AMAPTALOX15NPBWR1FPR1
SCHEMBL11614091 0.66 MAPT (0.43) KMT2AMAPTALOX15NPBWR1FPR1
SCHEMBL11612815 0.61 CYP1A2 (0.44) KMT2AMAPTALOX15MEN1ALDH1A1
SCHEMBL20598702 0.59 ALDH1A1 (0.49) KMT2AMAPTALOX15MAPK8MAPK10
SCHEMBL11619251 0.57 SLC22A12 (0.51) KMT2AMAPTNPBWR1LMNAHPGD
SCHEMBL30498970 0.57 CDYL (0.60) MAPTHPGDALDH1A1
SCHEMBL6615856 0.57 CDYL (0.60) MAPTHPGDALDH1A1
SCHEMBL3180834 0.57 SLC22A12 (0.47) KMT2AMAPTALOX15LMNAHPGD

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 6 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-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
Send feedback