SCHEMBL10532236

SCHEMBL10532236

c1ccc2c(c1)ncn2Sc1nccs1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 8/20 0.42
▸ PDK1 Q15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TNF P01375 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ FGFR1 P11362 1/20 0.34

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
SCHEMBL1879818 0.73 HTT (0.48) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL10962344 0.72 POLB (0.49) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL8013907 0.72 TDP1 (0.52) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL273486 0.72 TDP1 (0.52) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL1387982 0.69 PDE10A (0.54) HTTPOLBFGFR1
SCHEMBL20683088 0.69 TDP1 (0.48) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL6381049 0.69 TDP1 (0.48) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL28067710 0.68 CYP11B1 (0.46) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL6547293 0.66 TDP1 (0.39) SMN1; SMN2TDP1HTTPOLBMEN1
SCHEMBL10437253 0.66 CYP11B1 (0.57) SMN1; SMN2TDP1HTTPOLBMEN1

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-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 — — US disclosed
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