SCHEMBL7980306

SCHEMBL7980306

CCCCCCNC(=O)CSc1cccc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.48
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MPO P05164 2/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7977544 0.86 LMNA (0.57) CYP1A2CYP2C19CYP2D6TSHRNPC1
SCHEMBL7980389 0.85 NPC1 (0.49) NPSR1POLBCYP1A2CYP2C19CYP2D6
SCHEMBL7964005 0.84 POLB (0.46) NPSR1POLBPTGS2NPC1RAB9A
SCHEMBL7974413 0.84 SMN1; SMN2 (0.59) POLBCYP1A2CYP2C19NPC1RAB9A
SCHEMBL7977571 0.84 NPC1 (0.53) POLBNPC1RAB9AMPO
SCHEMBL7975349 0.83 CYP1A2 (0.51) NPSR1POLBCYP1A2CYP2C19CYP2D6
SCHEMBL7975303 0.83 MPO (0.58) NPSR1POLBMPOGAA
SCHEMBL7977564 0.82 POLB (0.50) NPSR1POLBNPC1RAB9AMPO
SCHEMBL7975405 0.82 MAPT (0.54) NPC1RAB9AGAA
SCHEMBL7977587 0.82 NPC1 (0.58) POLBNPC1RAB9AMPOTDP1

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