SCHEMBL9251561

SCHEMBL9251561

Cn1c(-c2ccc(C(=O)OCc3ccccc3)cc2C(=N)N)nc2c(C(=O)O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
F10 P00742 5/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL9571178 0.89 MAPT (0.39) PARP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL7326004 0.75 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9251552 0.75 PARP1 (0.46) PARP1ALDH1A1SMN1; SMN2PLAUL3MBTL1
SCHEMBL9246050 0.74 HDAC6 (0.40) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9247338 0.70 MAPT (0.38) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7259712 0.69 PARP1 (0.47) PARP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL26799644 0.69 TDP1 (0.58) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7259038 0.68 RAB9A (0.47) PARP1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23222980 0.68 TDP1 (0.57) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5834916 0.67 ALDH1A1 (0.68) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed