SCHEMBL11021674

SCHEMBL11021674

CCOc1cc(SC)ccc1-c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
CHEK2 O96017 1/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 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
SCHEMBL11021670 0.92 PDE5A (0.38) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11019300 0.88 PKN1 (0.48) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL14514686 0.81 RHEB (0.57) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11018070 0.81 METAP2 (0.44) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11022217 0.81 ATR (0.53) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11018943 0.81 AMY1A (0.47) METAP2METAP1PKN1PKN2CHEK2
Hydrochloric Acid SCHEMBL5647675 0.81 RHEB (0.56) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL10189650 0.81 METAP2 (0.47) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11018831 0.81 TOP1 (0.46) METAP2METAP1PKN1PKN2CHEK2
SCHEMBL11021091 0.81 ATR (0.48) METAP2METAP1PKN1PKN2CHEK2

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed