SCHEMBL11809362

SCHEMBL11809362

CCOC(=O)Nc1nc2cc(SC)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
CYP1A2 P05177 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
KCNH2 Q12809 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
HIF1A Q16665 3/20 0.47
CYP2C19 P33261 1/20 0.47
TUBB4A P04350 6/20 0.47
TUBB P07437 6/20 0.47
TUBA3C P0DPH7 6/20 0.47
TUBA1B P68363 6/20 0.47

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
SCHEMBL11809370 0.90 LMNA (0.63) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11097207 0.89 LMNA (0.56) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL20909217 0.87 LMNA (0.60) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11667061 0.87 LMNA (0.48) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL7258031 0.87 LMNA (0.69) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL14097446 0.85 TUBB4A (0.50) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11096138 0.82 TUBB4A (0.48) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11104041 0.81 LMNA (0.56) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL31265130 0.81 LMNA (0.53) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL5382918 0.80 KDR (0.72) CYP1A2SMN1; SMN2MEN1KMT2AMAPK1

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
US-3956499-A ANTHELMINTICS SMITHKLINE CORPORATION (US) 1976-05-11 US disclosed