SCHEMBL6994010

SCHEMBL6994010

CCN1CCSc2sc(C(=N)NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
INMT O95050 1/20 0.33
GAA P10253 4/20 0.32
ALOX15 P16050 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL6989668 0.65 KDM4E (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1164480 0.61 SMN1; SMN2 (0.47) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6989880 0.61 TBXAS1 (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7973903 0.61 ALDH1A1 (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7000119 0.61 NOTUM (0.39) MAPTKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL18296710 0.60 DAO (0.36) MAPTALDH1A1
SCHEMBL20881146 0.59 CA1 (0.40) ALDH1A1MEN1KMT2AGAA
SCHEMBL24795887 0.59 DRD2 (0.47) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL25365345 0.59 DAO (0.35)
SCHEMBL18296623 0.59 DAO (0.35) MAPTSMN1; SMN2GAA

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