SCHEMBL9305097

SCHEMBL9305097

CCc1ccc2nc(C(CC(=O)O)C(O)=S)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
TP53 P04637 5/20 0.39
HDAC4 P56524 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9305087 0.90 MAPT (0.46) MAPTPOLBLMNAGAATP53
SCHEMBL8972643 0.83 TP53 (0.53) MAPTPOLBLMNATP53RAB9A
SCHEMBL9305528 0.83 RAB9A (0.44) MAPTTP53RAB9ANPC1MEN1
SCHEMBL9306816 0.82 PIK3CG (0.42) MAPTPOLBLMNAHDAC4RAB9A
SCHEMBL8972467 0.82 MAPT (0.40) MAPTPOLBLMNAGAATP53
SCHEMBL10888980 0.82 MAPT (0.43) MAPTPOLBLMNAGAATP53
SCHEMBL9305082 0.81 MAPT (0.50) MAPTPOLBLMNAGAATP53
SCHEMBL9304726 0.81 CTSA (0.38) MAPTPOLBLMNATP53HDAC4
SCHEMBL8972338 0.80 HDAC3 (0.46) MAPTPOLBLMNAGAAHDAC4
SCHEMBL10893590 0.80 POLB (0.40) MAPTPOLBLMNATP53HDAC4

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 3 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