SCHEMBL8289711

SCHEMBL8289711

CCCCNC(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ MAPK10 P53779 1/20 0.70
▸ KDM4E B2RXH2 2/20 0.66
▸ MAPK1 P28482 1/20 0.65
▸ FLT3 P36888 3/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ MAPT P10636 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ HPGD P15428 4/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TSHR P16473 3/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ANO1 Q5XXA6 1/20 0.54
▸ GFER P55789 1/20 0.53

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
SCHEMBL8290423 0.98 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8290448 0.96 ALDH1A1 (0.65) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8290858 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8290420 0.83 POLB (0.65) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL5465308 0.82 FLT3 (0.64) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8288672 0.81 ALDH1A1 (0.93) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8288688 0.81 ALDH1A1 (0.91) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8288843 0.80 ANO1 (0.67) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL8289415 0.80 KDM4E (1.00) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL5457782 0.80 ALDH1A1 (0.95) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 — — WO disclosed
Send feedback