SCHEMBL7975381

SCHEMBL7975381

Cc1c(CSc2nc3ccncc3[nH]2)cccc1SCCn1ncnn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
ALDH1A1 P00352 5/20 0.49
PKM P14618 3/20 0.46
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
POLB P06746 1/20 0.41
NOS2 P35228 1/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7974419 0.90 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1NFKB1
SCHEMBL7964033 0.76 EGLN3 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1NFKB1
SCHEMBL7964015 0.73 EPHX2 (0.64) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL7975333 0.73 PDCD1 (0.37) POLB
SCHEMBL7964032 0.72 NPC1 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL7977585 0.72 POLB (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL7964039 0.72 RAB9A (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1NFKB1
SCHEMBL7964004 0.71 NPC1 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL7964029 0.70 RAB9A (0.70) SMN1; SMN2RAB9ANPC1ALDH1A1NFKB1
SCHEMBL7975403 0.69 LMNA (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A

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