SCHEMBL9305817

SCHEMBL9305817

O=C(O)CC(Sc1nc2ccc([N+](=O)[O-])cc2o1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DAGLA Q9Y4D2 1/20 0.44
LMNA P02545 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
RECQL P46063 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 3/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL8972457 0.81 ALDH1A1 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9306813 0.81 POLB (0.41) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9305093 0.80 MAPT (0.42) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9304721 0.80 ALDH1A1 (0.36) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9305788 0.78 HSD17B10 (0.39) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9305523 0.78 LMNA (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10888973 0.78 POLB (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8972330 0.78 KMT2A (0.52) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10895295 0.77 KMT2A (0.51) MAPTKMT2AMEN1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL10889818 0.77 KMT2A (0.51) MAPTKMT2AMEN1NPC1RAB9A

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