SCHEMBL7980296

SCHEMBL7980296

[CH2]CSc1cccc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
HPGD P15428 4/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
BCHE P06276 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AR P10275 1/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL7977579 0.88 RAB9A (0.66) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7964032 0.87 NPC1 (0.60) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7964004 0.86 NPC1 (0.55) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7964015 0.86 EPHX2 (0.64) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7977587 0.84 NPC1 (0.58) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7974288 0.84 KMT2A (0.65) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7977633 0.81 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7974426 0.80 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7974431 0.80 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDNFKB1
SCHEMBL7964039 0.80 RAB9A (0.54) SMN1; SMN2RAB9ANPC1HPGDNFKB1

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