SCHEMBL11587458

SCHEMBL11587458

C=CCN(CC=O)C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ RAF1 P04049 1/20 0.39

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
SCHEMBL11589376 0.88 POLB (0.50) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11708080 0.85 MEN1 (0.53) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11626582 0.82 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11550448 0.79 CA2 (0.40) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11710758 0.76 POLB (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11708399 0.76 MEN1 (0.48) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11600436 0.75 MEN1 (0.43) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11687601 0.74 SMN1; SMN2 (0.52) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11704267 0.73 POLB (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11489705 0.73 SMN1; SMN2 (0.61) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1

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-3958975-A HERBICIDE VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 — — US claimed
US-4093443-A Thiadiazolylimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-06-06 — — US disclosed
US-4028375-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-06-07 — — US disclosed
US-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 — — US disclosed
US-3958975-A HERBICIDE VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 — — US disclosed
US-3958975-A HERBICIDE VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 — — US disclosed
US-3958975-A HERBICIDE VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 — — US disclosed
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