SCHEMBL9305912

SCHEMBL9305912

CC(C)(CC(Sc1nc2ccccc2[nH]1)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TXN P10599 1/20 0.47
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL10872581 0.83 POLB (0.70) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL757400 0.82 KMT2A (0.67) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL754927 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL11121930 0.79 SMN1; SMN2 (0.73) SMN1; SMN2KMT2APOLBLMNATXN
SCHEMBL9304496 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KMT2ACYP1A2CYP2C9POLB
SCHEMBL8973070 0.79 KMT2A (0.63) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL10641582 0.78 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL10645047 0.78 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL4939638 0.77 KMT2A (0.64) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL9305881 0.77 KMT2A (0.61) SMN1; SMN2KMT2APOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
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
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