SCHEMBL6996076

SCHEMBL6996076

CCN1C(=O)CSc2sc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
KCNN4 O15554 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL6990888 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2HPGDMAPK1
SCHEMBL31411882 0.85 LMNA (0.38) ALDH1A1L3MBTL1SMN1; SMN2HPGDMAPK1
SCHEMBL6992221 0.84 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HPGDMAPK1KDM4E
SCHEMBL6991944 0.83 KCNN4 (0.48) ALDH1A1SMN1; SMN2KDM4ENPSR1POLB
SCHEMBL6995107 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDMAPK1KDM4E
SCHEMBL6989440 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ENPSR1TSHR
SCHEMBL31411665 0.81 KCNN4 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL31411601 0.81 CNR2 (0.36) ALDH1A1SMN1; SMN2HPGDMAPK1KDM4E
SCHEMBL31411767 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2MAPK1KDM4E
SCHEMBL31411715 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed