SCHEMBL7963996

SCHEMBL7963996

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
LMNA P02545 3/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
RECQL P46063 1/20 0.49
NFKB1 P19838 1/20 0.46

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
SCHEMBL7974367 0.92 LMNA (0.50) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7977605 0.87 SMN1; SMN2 (0.51) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7977621 0.87 SMN1; SMN2 (0.52) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7974473 0.87 RAB9A (0.52) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7977610 0.86 LMNA (0.47) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7974298 0.85 POLB (0.50) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7975403 0.85 LMNA (0.47) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7975370 0.85 RAB9A (0.45) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7977642 0.85 NPC1 (0.47) HPGDLMNANPC1RAB9AALDH1A1
SCHEMBL7974400 0.84 MEN1 (0.48) HPGDLMNANPC1RAB9AALDH1A1

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