SCHEMBL2561682

SCHEMBL2561682

CCOC(=O)C1CCCN(c2nc3c(C)cc(C)cc3s2)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
MAPT P10636 8/20 0.65
USP2 O75604 1/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 1/20 0.61
TP53 P04637 5/20 0.60
THRB P10828 2/20 0.59
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL2562824 0.86 RAB9A (0.74) RAB9AMAPTUSP2MEN1KMT2A
SCHEMBL2563232 0.79 MAPT (0.61) RAB9AMAPTSMN1; SMN2NPC1TP53
SCHEMBL2565666 0.79 MAPT (0.61) RAB9AMAPTSMN1; SMN2NPC1TP53
SCHEMBL628100 0.73 MAPT (0.54) MAPTNPSR1SMN1; SMN2TP53THRB
SCHEMBL2566408 0.73 SMN1; SMN2 (0.73) RAB9AMAPTUSP2MEN1KMT2A
SCHEMBL2577770 0.73 SMN1; SMN2 (0.73) RAB9AMAPTUSP2MEN1KMT2A
SCHEMBL628099 0.70 ALDH1A1 (0.49) RAB9AMAPTUSP2MEN1KMT2A
SCHEMBL24873099 0.70 ALDH1A1 (0.66) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4684573 0.69 ALDH1A1 (0.58) RAB9AMAPTUSP2MEN1KMT2A
SCHEMBL3436332 0.69 ALDH1A1 (0.63) MAPTUSP2MEN1KMT2ANPSR1

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
WO-2011131975-A1 MICROSOMAL PROSTAGLANDIN E SYNTASE-1 INHIBITORS Convergence Pharmaceuticals Limited (GB) 2011-10-27 WO disclosed