SCHEMBL6993565

SCHEMBL6993565

COC(=O)c1cc2c(s1)SCCN2C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
HSD17B10 Q99714 2/20 0.43
HPGD P15428 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
RYR2 Q92736 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 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
SCHEMBL6989310 0.89 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL6995984 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL6994490 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8036758 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6991013 0.80 MAPT (0.43) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL6989668 0.78 KDM4E (0.49) ALDH1A1KMT2AMAPTHTTHSD17B10
SCHEMBL6992272 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL6995377 0.74 MAPT (0.41) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL7090950 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL912513 0.68 HPGD (0.61) ALDH1A1KMT2AMAPTNPC1RAB9A

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