SCHEMBL9872797

SCHEMBL9872797

N#Cc1sc(N)c(C#N)c1N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 5/20 0.42
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 5/20 0.41
HSD17B10 Q99714 4/20 0.41
BPTF Q12830 3/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9872497 0.68 BPTF (0.42) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL11604601 0.67 MEN1 (0.55) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL11564869 0.66 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL24785207 0.63 BPTF (0.51) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL11557686 0.63 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL24785211 0.63 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL11064868 0.62 BPTF (0.48) ALDH1A1HPGDMAPTKDM4ENPSR1
SCHEMBL24785880 0.62 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL23334745 0.62 BPTF (0.46) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL26265515 0.61 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2264772-A None JP disclosed
US-5064962-A DIAMINOTHIOPHENES BASF AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
JP-H02264772-A DIAMINOTHIOPHENE AND ITS PREPARATION BASF AG 1990-10-29 JP disclosed
EP-0384314-A2 Diaminothiophenes BASF Aktiengesellschaft (DE) 1990-08-29 EP disclosed