SCHEMBL9733955

SCHEMBL9733955

CSc1cccc2oc(C(CC(=O)S)C(=O)O)nc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRK6 P43250 1/20 0.31

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
SCHEMBL11021985 0.84 CEPT1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL11020685 0.82 LMNA (0.36) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9733965 0.82 CTSA (0.33) ALDH1A1MEN1KMT2AGRK6
SCHEMBL8973074 0.81 SOAT1 (0.36)
SCHEMBL9306222 0.81 DAGLA (0.43) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9304101 0.81 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9305328 0.79 TOP2A (0.40) ALDH1A1MEN1KMT2A
SCHEMBL9733962 0.79
SCHEMBL8972322 0.76 RAB9A (0.43) SMN1; SMN2ALDH1A1MEN1KMT2A
Methylamine SCHEMBL10867850 0.76 RAB9A (0.42) SMN1; SMN2ALDH1A1MEN1KMT2A

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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed