SCHEMBL9505466

SCHEMBL9505466

NC(=S)C(C(=O)OC1CCCCC1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KCNA5 P22460 3/20 0.35
▸ KCNE1 P15382 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FABP7 O15540 1/20 0.35
▸ FABP5 Q01469 1/20 0.35

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
Hydrochloric Acid SCHEMBL9503261 0.99 CYP19A1 (0.42) CYP19A1KDM4EPKMMEN1KMT2A
SCHEMBL3689608 0.85 GRIN2B (0.40) KDM4EMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9503384 0.84 CYP19A1 (0.43) CYP19A1KDM4EMEN1KMT2AHRH3
SCHEMBL9507117 0.83 MEN1 (0.42) KDM4EPKMMEN1KMT2ANPC1
SCHEMBL9505434 0.83 MEN1 (0.42) KDM4EPKMMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9505502 0.82 MEN1 (0.42) KDM4EPKMMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9504445 0.82 MEN1 (0.42) KDM4EPKMMEN1KMT2ANPC1
SCHEMBL9503402 0.81 SMN1; SMN2 (0.41) KDM4EPKMMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL10521212 0.81 KDM4E (0.40) KDM4EPKMMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9503372 0.81 SMN1; SMN2 (0.41) KDM4EPKMMEN1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 — — EP claimed
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