SCHEMBL10883199

SCHEMBL10883199

C=CCSc1ncc(C#N)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 7/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.47
TSHR P16473 5/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LDHA P00338 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5301134 0.77 ALDH1A1 (0.52) MAPK1ALDH1A1HPGDRECQLTSHR
SCHEMBL2027355 0.74 MAPK1 (0.69) MAPK1ALDH1A1HPGDTSHRHTT
SCHEMBL13946167 0.74 DAO (0.64) MAPK1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1110850 0.67 GPR84 (0.53) ALDH1A1HPGDTP53RECQLTSHR
SCHEMBL13735717 0.66 TP53 (0.69) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL23900415 0.65 MAPK1 (0.56) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL27658904 0.65 MAPK1 (0.51) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL11133098 0.65 MEN1 (0.56) ALDH1A1HPGDTP53RECQLTSHR
SCHEMBL16297352 0.65 TP53 (0.46) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL7378101 0.64 CRHBP (0.50) MAPK1ALDH1A1HPGDTDP1L3MBTL1

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
JP-61112059-A None JP disclosed
JP-S61112059-A 2-ANILINO-1,6-DIHYDRO-6-OXO-5-PYRIMIDINECARBONITRILE DERIVATIVE MORISHITA SEIYAKU KK 1986-05-30 JP disclosed