SCHEMBL6991108

SCHEMBL6991108

NC(=O)C(Br)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.51
MAPK9 P45984 1/20 0.47
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3E A5X5Y0 1/20 0.44

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
SCHEMBL7333176 0.85 MAPK9 (0.55) EDNRAMAPK9MAPK1ALDH1A1CYP3A4
SCHEMBL14200154 0.83 CYP3A4 (0.49) MAPK9MAPK1ALDH1A1CYP3A4CYP1A2
SCHEMBL7289763 0.80 EDNRA (0.51) EDNRAMAPK9MAPK1ALDH1A1CYP3A4
SCHEMBL5717640 0.80 PTGS2 (0.59) EDNRAALDH1A1KMT2AMAPTHPGD
SCHEMBL4996294 0.80 EDNRA (0.54) EDNRAALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7332440 0.77 CYP3A4 (0.53) EDNRACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8909600 0.77 RAB9A (0.45) EDNRAMAPK9MAPK1ALDH1A1CYP3A4
SCHEMBL28062224 0.77 CYP3A4 (0.51) EDNRAMAPK9MAPK1ALDH1A1CYP3A4
SCHEMBL11217449 0.76 CYP3A4 (0.54) EDNRAMAPK9MAPK1ALDH1A1CYP3A4
SCHEMBL7684418 0.75 MAPK9 (0.55) EDNRAMAPK9MAPK1ALDH1A1CYP3A4

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 5 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-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US 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
EP-0927177-A1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-07 EP disclosed
WO-1998011089-A1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-03-19 WO disclosed