SCHEMBL9306816

SCHEMBL9306816

O=C(O)CC(C(O)=S)c1nc2ccc(Cl)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
XDH P47989 1/20 0.39
NLRP3 Q96P20 1/20 0.39
S1PR3 Q99500 4/20 0.39
HDAC4 P56524 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
DRD1 P21728 1/20 0.37
OPRD1 P41143 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL8972448 0.91 LMNA (0.48) LMNAALDH1A1ALOX12PSMB8XDH
SCHEMBL9306804 0.90 PIK3CG (0.44) PIK3CGLMNAALDH1A1ALOX12PSMB8
SCHEMBL8972467 0.85 MAPT (0.40) LMNAALDH1A1HDAC4MAPTRAB9A
SCHEMBL9305528 0.82 RAB9A (0.44) XDHNLRP3MAPTRAB9A
SCHEMBL9305097 0.82 MAPT (0.49) LMNAALDH1A1HDAC4MAPTRAB9A
SCHEMBL8972338 0.82 HDAC3 (0.46) LMNAALDH1A1HDAC4MAPTRAB9A
SCHEMBL10888980 0.81 MAPT (0.43) LMNAALDH1A1HDAC4MAPTRAB9A
Ammonia Solution, Strong SCHEMBL10865678 0.81 HDAC3 (0.45) LMNAALDH1A1HDAC4MAPTRAB9A
SCHEMBL9305822 0.81 MAPT (0.48) LMNAALDH1A1MAPTRAB9AMAOA
SCHEMBL9304726 0.81 CTSA (0.38) LMNAALDH1A1HDAC4MAPTPOLB

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