SCHEMBL7510213

SCHEMBL7510213

CCNC1CN(CCCOC)Sc2sc(S(N)(=O)=O)cc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.64
CA4 P22748 3/20 0.64
CA1 P00915 3/20 0.64
CA12 O43570 2/20 0.64
CA6 P23280 2/20 0.64
CA5A P35218 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA13 Q8N1Q1 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
LMNA P02545 2/20 0.64
CA3 P07451 1/20 0.43
AR P10275 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4750415 1.00 CA2 (0.64) CA2CA4CA1CA12CA6
SCHEMBL7514823 0.95 CA2 (0.58) CA2CA4CA1CA12CA6
SCHEMBL7507808 0.95 CA2 (0.58) CA2CA4CA1CA12CA6
SCHEMBL7518760 0.94 CA2 (0.58) CA2CA4CA1CA12CA6
SCHEMBL7510619 0.94 CA2 (0.58) CA2CA4CA1CA12CA6
SCHEMBL7516535 0.92 CA2 (0.55) CA2CA4CA1CA12CA6
SCHEMBL7510317 0.92 CA2 (0.55) CA2CA4CA1CA12CA6
Hydrochloric Acid SCHEMBL9597515 0.91 CA2 (0.53) CA2CA4CA1CA12CA6
SCHEMBL7506048 0.91 CA2 (0.57) CA2CA4CA1CA12CA6
SCHEMBL7509335 0.91 CA2 (0.57) CA2CA4CA1CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527801-B1 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANHYDRASE INHIBITORS ALCON LAB INC (US) 2002-07-31 EP claimed
EP-0527801-A4 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANYDRASE INHIBITORS 1993-03-10 EP claimed
US-11377673-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2022-07-05 US disclosed
US-20210054422-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-02-25 US disclosed
EP-3068793-B1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2021-02-17 EP disclosed