SCHEMBL5736604

SCHEMBL5736604

CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.43
F2 P00734 6/20 0.43
AKR1C3 P42330 4/20 0.40
AKR1C1 Q04828 1/20 0.40
RAB9A P51151 1/20 0.40
ADAM17 P78536 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL5734582 1.00 F10 (0.43) F10F2AKR1C3AKR1C1RAB9A
SCHEMBL5735223 0.90 KMT2A (0.44) F10F2RAB9AADAM17KMT2A
SCHEMBL5735221 0.90 KMT2A (0.44) F10F2RAB9AADAM17KMT2A
SCHEMBL5734775 0.90 F10 (0.43) F10F2RAB9AADAM17CNR1
SCHEMBL5734768 0.90 F10 (0.43) F10F2RAB9AADAM17CNR1
Hydrochloric Acid SCHEMBL5735935 0.86 F10 (0.44) F10F2AKR1C3AKR1C1RAB9A
Hydrochloric Acid SCHEMBL5735941 0.86 F10 (0.44) F10F2AKR1C3AKR1C1RAB9A
SCHEMBL5735437 0.86 F10 (0.41) F10F2RAB9AMEN1KMT2A
SCHEMBL5735439 0.86 F10 (0.41) F10F2RAB9AMEN1KMT2A
SCHEMBL5733446 0.86 F10 (0.57) F10MEN1KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed