SCHEMBL7053301

SCHEMBL7053301

O[C@H]([CH]Cc1cccs1)CNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
ANPEP P15144 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7054551 0.82 TSHR (0.49) LMNAHPGDKMT2AMEN1TSHR
SCHEMBL5219600 0.82 ANPEP (0.46) LMNAKMT2AMEN1TDP1ANPEP
SCHEMBL7051118 0.75 OPRD1 (0.47) LMNAKMT2AMEN1ANPEPALDH1A1
SCHEMBL3625005 0.73 LMNA (0.71) LMNAHPGDRAB9AKMT2AMEN1
SCHEMBL27628350 0.73 LMNA (0.38) LMNAHPGDRAB9AKMT2AMEN1
SCHEMBL10403337 0.72 ANPEP (0.53) LMNAKMT2AMEN1TDP1ANPEP
SCHEMBL6895986 0.71 MEN1 (0.51) RAB9AKMT2AMEN1TSHRNPC1
SCHEMBL1848295 0.71 ALDH1A1 (0.49) LMNAKMT2AMEN1TDP1ANPEP
SCHEMBL27648329 0.71 DNM1 (0.35) LMNAPOLBANPEPALDH1A1CYP1A2
SCHEMBL1850858 0.71 ANPEP (0.47) LMNAKMT2AMEN1TDP1ANPEP

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed