SCHEMBL11712811

SCHEMBL11712811

CNC(=O)Nc1nnc(S(=O)(=O)N2CCOCC2)s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ POLB P06746 3/20 0.64
▸ KMT2A Q03164 5/20 0.61
▸ TP53 P04637 2/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ G6PD P11413 1/20 0.60
▸ GALK1 P51570 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ THRB P10828 1/20 0.57

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
SCHEMBL11563706 0.82 CA1 (0.47) MAPTRAB9APOLBKMT2ATP53
SCHEMBL11561420 0.73 CA2 (0.51) KMT2AMEN1THRB
SCHEMBL11562150 0.71 CA1 (0.53) MAPTPOLBKMT2ARXFP1MEN1
SCHEMBL13411701 0.70 ALDH1A1 (0.49) RAB9APOLBKMT2ATP53GAA
SCHEMBL11666192 0.69 CA1 (0.47) KMT2AMEN1THRB
SCHEMBL11821585 0.69 CA1 (0.54) KMT2AGAAMEN1THRB
SCHEMBL11559048 0.67 MAPT (0.52) MAPTPOLBKMT2ATP53RXFP1
SCHEMBL22118520 0.66 CA1 (1.00) POLB
SCHEMBL11815501 0.66 CA1 (0.50) MAPTKMT2AMEN1THRB
SCHEMBL11558636 0.66 MAPT (0.50) MAPTPOLBKMT2ATP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4042372-A HERBICIDES ELI LILLY AND COMPANY (US) 1977-08-16 — — US disclosed
US-3972706-A SUBSTITUTED THIADIAZOL-2-YL-UREAS ELI LILLY AND COMPANY (US) 1976-08-03 — — US disclosed
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