SCHEMBL8301728

SCHEMBL8301728

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(N)c(Br)cc2C(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
GALR3 O60755 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8301472 0.85 MEN1 (0.59) PKMLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8293880 0.78 HSP90AA1 (0.61) PKMLMNAALDH1A1KMT2AMEN1
SCHEMBL8567528 0.76 HSD17B10 (0.66) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL14267566 0.75 HSP90AA1 (0.56) PKMMAPTLMNAUSP2SMN1; SMN2
SCHEMBL8298680 0.72 HSP90AA1 (0.48) PKMLMNAALDH1A1KMT2AMEN1
SCHEMBL27480077 0.72 TDP1 (0.57) PKMLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9231471 0.72 HSD17B10 (0.59) PKMMAPTLMNAALDH1A1KMT2A
SCHEMBL8297954 0.71 PKM (0.68) PKMLMNAUSP2SMN1; SMN2ALDH1A1
SCHEMBL8301386 0.71 MEN1 (0.62) PKMLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8566730 0.70 HPGD (0.47) PKMMAPTUSP2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed