SCHEMBL9602660

SCHEMBL9602660

O=S(=O)(O)Cn1nnnc1CS

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL31390445 0.77 CYP1A2 (0.31) CYP1A2
SCHEMBL31390444 0.77 CYP1A2 (0.31) CYP1A2
SCHEMBL10751762 0.77 CYP1A2 (0.31) CYP1A2
SCHEMBL4597740 0.70 KMT2A (0.36) CYP1A2
SCHEMBL4597744 0.70 KMT2A (0.58) CYP1A2
SCHEMBL10772135 0.69 ALDH1A1 (0.31)
SCHEMBL11363179 0.69
SCHEMBL13297834 0.68 ALDH1A1 (0.47)
SCHEMBL16118721 0.66 ALDH1A1 (0.53)
SCHEMBL10404026 0.65 ALDH1A1 (0.37)

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
EP-0137534-B1 ONE-POT PROCESS FOR PREPARATION OF 7BETA-AMINO- AND 7BETA-ACYLAMINO- 3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR DEOXYGENATION OF 7BETA-ACYLAMINO-3-CEPHEM-4-CARBOXYLIC ACID 1-OXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1990-05-16 EP claimed
EP-0137534-A2 One-pot process for preparation of 7beta-amino- and 7beta-acylamino- 3-substituted methyl-3-cephem-4-carboxylic acid derivatives and process for deoxygenation of 7beta-acylamino-3-cephem-4-carboxylic acid 1-oxide derivatives GIST-BROCADES N.V. (NL) 1985-04-17 EP claimed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4230849-A Process for the activation of carboxylic acids ANTIBIOTICOS, S.A. (ES) 1980-10-28 US disclosed