SCHEMBL7964002

SCHEMBL7964002

O=C(Nc1ccccc1)OCCOc1cccc(CSc2nc3ccccc3[nH]2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
MPO P05164 3/20 0.45
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
POLB P06746 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL7974388 0.88 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL7975212 0.82 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL7974397 0.79 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2MAPTMPO
SCHEMBL7975003 0.76 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL7975380 0.74 LMNA (0.47) NPC1RAB9ASMN1; SMN2MAPTMPO
SCHEMBL7974305 0.73 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTMPO
SCHEMBL7977583 0.72 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2MAPTMPO
SCHEMBL7963991 0.72 LMNA (0.45) NPC1RAB9ASMN1; SMN2MAPTMPO
SCHEMBL7984325 0.72 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL6475245 0.71 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTNPSR1

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed