SCHEMBL9699111

SCHEMBL9699111

CN1CCC(CS(=O)(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.42
NCF1 P14598 1/20 0.40
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM3 P20309 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL29271261 1.00 INPP5A (0.42) INPP5ANCF1KAT6AKAT5KAT8
SCHEMBL12593545 0.89 NCF1 (0.46) INPP5ANCF1CYP2D6GNAI3GNAO1
SCHEMBL23160555 0.88 INPP5A (0.40) INPP5ACYP2D6ALDH1A1CHRM3
SCHEMBL23160556 0.88 INPP5A (0.40) INPP5ACYP2D6ALDH1A1CHRM3
Hydrochloric Acid SCHEMBL4874119 0.88 INPP5A (0.47) INPP5ANCF1CYP2D6GNAI3GNAO1
SCHEMBL29252839 0.86 NCF1 (0.39) NCF1KAT6AKAT5KAT8CYP1A2
SCHEMBL15371817 0.85 INPP5A (0.42) INPP5A
Trifluoromethanesulfonic Acid SCHEMBL30331053 0.83 DPP8 (0.38) NCF1KAT6AKAT5KAT8GNAI3
SCHEMBL8318641 0.81 NCF1 (0.41) NCF1KAT6AKAT5KAT8CYP1A2
SCHEMBL15047504 0.79 NCF1 (0.40) NCF1KAT6AKAT5KAT8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118284604-A Fused heterocycles as RIPK1 inhibitors 比西切姆有限公司 2024-07-02 CN disclosed
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 CN disclosed
US-5109013-A 2-(2-substituted aminoethyl)-1,4-dialkyl-3,4-dihydro-1H-1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-ones as muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-04-28 US disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed