SCHEMBL6994490

SCHEMBL6994490

N=C(N)c1cc2c(s1)SCCN2C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
HPGD P15428 2/20 0.41
F10 P00742 3/20 0.36
F9 P00740 1/20 0.36
PLAU P00749 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NOTUM Q6P988 1/20 0.35
PRSS1 P07477 2/20 0.34
F2 P00734 1/20 0.34

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
Hydrochloric Acid SCHEMBL8036758 0.99 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL6995984 0.90 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL6989310 0.87 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL6993565 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6991013 0.81 MAPT (0.43) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6996155 0.80 NOTUM (0.43) KMT2ARAB9ANOTUMPOLB
Hydrochloric Acid SCHEMBL7000245 0.78 ITGB3 (0.34) RYR2POLB
SCHEMBL6992272 0.77 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6990092 0.73 MAPK1 (0.43) ALDH1A1MAPTKMT2AHTTHPGD
SCHEMBL7554388 0.71 F9 (0.39) ALDH1A1MAPTKMT2AF10F9

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-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