SCHEMBL9305082

SCHEMBL9305082

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
TP53 P04637 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
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HDAC4 P56524 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL8972441 0.82 MAPT (0.41) MAPTPOLBLMNAGAARAB9A
SCHEMBL9306799 0.82 PIK3CG (0.43) MAPTPOLBLMNARAB9AALDH1A1
SCHEMBL8972631 0.82 TP53 (0.53) MAPTPOLBLMNARAB9ATP53
SCHEMBL9305097 0.81 MAPT (0.49) MAPTPOLBLMNAGAARAB9A
SCHEMBL10888960 0.81 MAPT (0.44) MAPTPOLBLMNARAB9ANPC1
SCHEMBL9305511 0.81 NPC1 (0.44) MAPTRAB9ANPC1TP53AKR1C3
SCHEMBL9304708 0.81 ALDH1A1 (0.38) MAPTPOLBLMNAGAATP53
SCHEMBL8972322 0.80 RAB9A (0.43) MAPTGAARAB9ANPC1HDAC4
SCHEMBL10893571 0.80 POLB (0.40) MAPTPOLBLMNARAB9ANPC1
SCHEMBL9305778 0.79 RAB9A (0.38) MAPTPOLBLMNAGAARAB9A

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