SCHEMBL13987484

SCHEMBL13987484

NS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2)cc2c1OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
KLF5 Q13887 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 2/20 0.46
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CA4 P22748 1/20 0.40

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
Hydrochloric Acid SCHEMBL4862663 0.99 SMN1; SMN2 (0.48) SMN1; SMN2KLF5LMNAALDH1A1TDP1
SCHEMBL13987487 0.87 NPC1 (0.40) SMN1; SMN2KLF5LMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL4860545 0.86 NPC1 (0.39) SMN1; SMN2KLF5LMNAALDH1A1TDP1
SCHEMBL13987486 0.85 TAAR1 (0.42) ALDH1A1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL4857039 0.84 TAAR1 (0.42) ALDH1A1CA1CA2CA12CA9
SCHEMBL4851983 0.84 SMN1; SMN2 (0.51) SMN1; SMN2KLF5LMNAALDH1A1TDP1
SCHEMBL5576935 0.83 PTGDR2 (0.38) SMN1; SMN2KLF5LMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL5576999 0.82 PTGDR2 (0.37) SMN1; SMN2KLF5LMNAALDH1A1TDP1
SCHEMBL4862735 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KLF5LMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL27611289 0.79 CA2 (0.41) SMN1; SMN2KLF5LMNAALDH1A1TDP1

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed