SCHEMBL7977448

SCHEMBL7977448

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)NC1Cc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
APEX1 P27695 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MPO P05164 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 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
MAPT P10636 2/20 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
SCHEMBL7974434 0.92 POLB (0.65) POLBTDP1APEX1CTDSP1L3MBTL1
SCHEMBL7964027 0.90 POLB (0.71) POLBTDP1APEX1CTDSP1L3MBTL1
SCHEMBL7964168 0.89 POLB (0.70) POLBTDP1APEX1CTDSP1L3MBTL1
SCHEMBL7977587 0.82 NPC1 (0.58) POLBTDP1CTDSP1NPC1RAB9A
SCHEMBL7974288 0.82 KMT2A (0.65) POLBTDP1CTDSP1NPC1RAB9A
SCHEMBL7977633 0.81 SMN1; SMN2 (0.56) POLBNPC1RAB9AMPOLMNA
SCHEMBL7974413 0.81 SMN1; SMN2 (0.59) POLBTDP1NPC1RAB9AMPO
SCHEMBL7977571 0.81 NPC1 (0.53) POLBNPC1RAB9AMPOLMNA
SCHEMBL7977544 0.79 LMNA (0.57) NPC1RAB9AMPOCYP1A2CYP2C19
SCHEMBL7980306 0.79 NPSR1 (0.49) POLBTDP1NPC1RAB9AMPO

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