SCHEMBL8717372

SCHEMBL8717372

CC(C)(C)c1ccc(S(=O)(=O)NC2C(N)C2C(=O)NC[C@@H]2CCCN(C(=N)N)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.48
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL8717330 0.76 F2 (0.61) F2
SCHEMBL7302675 0.73 F2 (0.75) F2
SCHEMBL7302895 0.73 F2 (0.58) F2
SCHEMBL8719901 0.72 F2 (0.56) F2
Acetic Acid SCHEMBL8919662 0.72 F2 (0.72) F2
SCHEMBL8926218 0.71 F2 (0.42) F2
SCHEMBL12075481 0.70 KMT2A (0.52) ALDH1A1HPGD
SCHEMBL8927498 0.70 F2 (0.42) F2
SCHEMBL8716814 0.68 TPSAB1 (0.65) F2ALDH1A1
SCHEMBL8716820 0.68 TPSAB1 (0.65) F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed