SCHEMBL5735649

SCHEMBL5735649

COC(=O)NC(=N)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MITF O75030 1/20 0.44
POLB P06746 2/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.42
FFAR1 O14842 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8385553 0.84 MAPT (0.48) EPHX2NR1H4ALDH1A1SMN1; SMN2MEN1
SCHEMBL11363911 0.84 HTT (0.53) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3001175 0.82 SMN1; SMN2 (0.64) EPHX2NR1H4ALDH1A1SMN1; SMN2MEN1
SCHEMBL8868374 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBHPGDKDM4E
SCHEMBL28050017 0.79 F2 (0.50) EPHX2NR1H4ALDH1A1MEN1KMT2A
SCHEMBL4094798 0.79 ALDH1A1 (0.50) EPHX2NR1H4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7285910 0.79 KMT2A (0.44) EPHX2NR1H4ALDH1A1SMN1; SMN2MEN1
SCHEMBL8381562 0.78 POLB (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7561667 0.77 ALDH1A1 (0.49) EPHX2NR1H4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7296941 0.77 ALDH1A1 (0.52) EPHX2NR1H4ALDH1A1MEN1KMT2A

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