SCHEMBL9443149

SCHEMBL9443149

COC(=O)c1ccc2nc(SCC(CC(=O)O)C(=O)O)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TNF P01375 1/20 0.46
GAA P10253 1/20 0.46
NR2F2 P24468 1/20 0.46
MCL1 Q07820 1/20 0.46
KLF5 Q13887 1/20 0.46

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
SCHEMBL9306500 0.81 NPC1 (0.51) SMN1; SMN2NPC1RAB9APIK3CAPIK3CB
SCHEMBL9307717 0.81 MEN1 (0.58) SMN1; SMN2NPC1RAB9AMAPTLMNA
Dimethylamine SCHEMBL10597344 0.79 POLB (0.56) SMN1; SMN2NPC1RAB9AMAPTLMNA
Dimethylamine SCHEMBL10890186 0.79 POLB (0.56) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL9811022 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APIK3CAPIK3CB
SCHEMBL10598891 0.78 PIK3CA (0.48) SMN1; SMN2NPC1RAB9APIK3CAPIK3CB
SCHEMBL9304554 0.78 PDK1 (0.58) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL9443075 0.78 PPARA (0.56) LMNAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8972076 0.78 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL10645212 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
EP-0128862-B1 ANTI-CORROSIVE COATING COMPOSITION CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed