SCHEMBL11509730

SCHEMBL11509730

Cc1cc(OC(=O)c2cncc(F)c2)n(C(C)c2ccc(Cl)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ THRB P10828 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
SCHEMBL11731962 0.85 PDPK1 (0.35) —
SCHEMBL11510067 0.82 S1PR4 (0.40) MAPT
SCHEMBL11509157 0.81 LMNA (0.40) ALDH1A1MAPTTHRB
SCHEMBL11507933 0.79 MDM2 (0.39) MAPTTHRB
SCHEMBL11511357 0.78 MAPT (0.43) ALDH1A1MAPTHPGD
SCHEMBL11512100 0.78 KMT2A (0.44) ALDH1A1MAPTTHRB
SCHEMBL11509314 0.74 KCNK3 (0.40) ALDH1A1MAPT
SCHEMBL11509813 0.74 S1PR3 (0.37) MAPT
SCHEMBL11509278 0.74 GPR139 (0.36) MAPT
SCHEMBL11509267 0.74 KDM4E (0.40) CYP3A4ENPP3ALPLXIAPALDH1A1

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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