SCHEMBL7567279

SCHEMBL7567279

NS(=O)(=O)N(c1ccccc1)c1cc(C(=O)O)c(N(c2ccccc2)S(N)(=O)=O)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.40
HPGD P15428 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL132005 0.78 PKM (0.50) CYP2C9ALDH1A1ALOX15MEN1KMT2A
SCHEMBL7811751 0.75 NPSR1 (0.48) MCL1HSD17B10CYP2C9LMNAALDH1A1
SCHEMBL11020315 0.72 KDM4E (0.39) MCL1HSD17B10CYP2C9LMNAALDH1A1
SCHEMBL4191886 0.72 ALDH1A1 (0.44) MCL1HSD17B10LMNAALDH1A1ALOX15
SCHEMBL19596110 0.71 ALDH1A1 (0.44) MCL1LMNAALDH1A1ALOX15MEN1
SCHEMBL894821 0.70 KMT2A (0.44) ALDH1A1ALOX15KMT2AESR1HPGD
SCHEMBL10875052 0.69 TDP1 (0.56) HSD17B10CYP2C9LMNAALDH1A1ALOX15
SCHEMBL15309180 0.69 ALDH1A1 (0.43) HSD17B10LMNAALDH1A1ALOX15MEN1
SCHEMBL11265609 0.68 ALDH1A1 (0.44) ALDH1A1KMT2AESR1CA1CA2
SCHEMBL22638587 0.68 KMT2A (0.49) HSD17B10ALDH1A1ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6494948-B2 HEATING 2,5-DIANILINOTEREPHTHALIC ACID OR 2,5-DIANILINO-6,13-DIHYDROTEREPHTHALIC ACID DERIVATIVES WITH POLYPHOSPHORIC ACID BAYER CORPORATION 2002-12-17 US claimed
US-20020078860-A1 Preparation of quinacridone pigment compositions BAYER POLYMERS LLC 2002-06-27 US claimed
US-6494948-B2 HEATING 2,5-DIANILINOTEREPHTHALIC ACID OR 2,5-DIANILINO-6,13-DIHYDROTEREPHTHALIC ACID DERIVATIVES WITH POLYPHOSPHORIC ACID BAYER CORPORATION 2002-12-17 US disclosed
US-6494948-B2 HEATING 2,5-DIANILINOTEREPHTHALIC ACID OR 2,5-DIANILINO-6,13-DIHYDROTEREPHTHALIC ACID DERIVATIVES WITH POLYPHOSPHORIC ACID BAYER CORPORATION 2002-12-17 US disclosed
EP-0842987-B1 Incorporation of quinacridone additives during quinacridone preparation BAYER AG (US) 2002-09-04 EP disclosed
US-20020078860-A1 Preparation of quinacridone pigment compositions BAYER POLYMERS LLC 2002-06-27 US disclosed
US-20020078860-A1 Preparation of quinacridone pigment compositions BAYER POLYMERS LLC 2002-06-27 US disclosed
US-5755873-A Incorporation of quinacridone additives during quinacridone preparation BAYER CORPORATION (US) 1998-05-26 US disclosed
EP-0842987-A2 Incorporation of quinacridone additives during quinacridone preparation Bayer Corporation (US) 1998-05-20 EP disclosed