SCHEMBL27344993

SCHEMBL27344993

COS(=O)(=O)c1nc(N)cc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
DYRK1A Q13627 1/20 0.31
P2RY12 Q9H244 1/20 0.31
CYP3A4 P08684 1/20 0.30
BLM P54132 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8627156 0.70 KDM4E (0.39) NOS3NOS1NOS2MAPTTDP1
SCHEMBL29022076 0.65 TXNRD1 (0.36) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL13351700 0.64 MAPT (0.41) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL10519534 0.64 NOS3 (0.50) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL8597269 0.63 LMNA (0.42) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL19072344 0.61
SCHEMBL11170465 0.61 ALDH1A1 (0.40) LMNASMN1; SMN2MAPTTDP1CA1
Sulfuric Acid SCHEMBL8723533 0.61 MAPT (0.36) MAPTTDP1CYP3A4BLMMEN1
SCHEMBL2088102 0.61 G6PD (0.41) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL13068145 0.61 ALDH1A1 (0.41) NOS3NOS1NOS2LMNASMN1; SMN2

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
CN-1044224-C Process for isomerisation of olefin through soaking up metallic catalyst containing sulfureous organic compound before filling into reactor INST FRANCAIS DU PETROLE (FR) 1999-07-21 CN disclosed
CN-1106778-A Process for isomerisation of olefin through soaking up metallic catalyst containing sulfureous organic compound before filling into reactor INST FRANCAIS DU PETROLE (FR) 1995-08-16 CN disclosed