SCHEMBL9273047

SCHEMBL9273047

Cc1csc(NC(=O)N(Cc2ccccc2)C2CCC(C3CCCCC3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CPS1 P31327 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ UBE2M P61081 2/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.42

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
SCHEMBL9273051 1.00 MEN1 (0.52) MEN1KMT2ACPS1RAB9AALDH1A1
SCHEMBL9269186 0.80 DCUN1D1 (0.46) ALDH1A1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL9269180 0.80 DCUN1D1 (0.46) ALDH1A1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL9269097 0.79 DCUN1D1 (0.48) UBE2MDCUN1D1
SCHEMBL9267487 0.78 DCUN1D1 (0.43) ALDH1A1TP53UBE2MDCUN1D1
SCHEMBL9267491 0.78 DCUN1D1 (0.43) ALDH1A1TP53UBE2MDCUN1D1
SCHEMBL9267290 0.77 DCUN1D1 (0.48) UBE2MDCUN1D1
SCHEMBL9267293 0.77 DCUN1D1 (0.48) UBE2MDCUN1D1
SCHEMBL9272164 0.77 UBE2M (0.42) UBE2MDCUN1D1
SCHEMBL9272166 0.77 UBE2M (0.42) UBE2MDCUN1D1

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
US-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 — — US disclosed
Send feedback