SCHEMBL7018141

SCHEMBL7018141

CCn1c(SC)nc2[nH]ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7010831 0.89 ALDH1A1 (0.42) NPSR1ADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL18321913 0.80 ADORA2A (0.42) KMT2AMEN1LMNAADORA2AADORA1
SCHEMBL7019103 0.79 ALDH1A1 (0.49) KMT2AMEN1LMNANPSR1KDM4E
SCHEMBL7010358 0.77 TP53 (0.44) MAPK1TSHRLMNAMAPTALDH1A1
SCHEMBL13257531 0.76 LMNA (0.44) MAPK1LMNAADORA2AADORA1KDM4E
SCHEMBL13266361 0.72 LMNA (0.38) KMT2AMEN1LMNAMAPTHSD17B10
SCHEMBL13258438 0.71 LMNA (0.40) LMNAADORA2AADORA1KDM4EMAPT
SCHEMBL2566910 0.71 LMNA (0.38) LMNAMAPTHSD17B10JAK2ALDH1A1
SCHEMBL13266358 0.71 LMNA (0.45) KMT2ATSHRMEN1LMNAMAPT
SCHEMBL13257672 0.71 LMNA (0.39) LMNAHSD17B10ALDH1A1PDE4APDE4B

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed