SCHEMBL11601840

SCHEMBL11601840

CCCCCN(C(=O)Nc1nnc(C2CC2)s1)C(C=O)COC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL11606128 0.78 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11606500 0.72 NPSR1 (0.47) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL11602999 0.70 POLB (0.40) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11683084 0.68 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11669894 0.68 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11682862 0.68 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11600436 0.66 MEN1 (0.43) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11670623 0.66 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11680854 0.66 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11549721 0.64 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARAB9ANPC1

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-4086238-A 1-Thiadiazolyl-4-methoxymethyl-5-hydroxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 — — US disclosed
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