SCHEMBL9305796

SCHEMBL9305796

Cc1cc2nc(C(CC(=O)O)C(O)=S)oc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 6/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 5/20 0.36
GAA P10253 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC4 P56524 1/20 0.34
F9 P00740 1/20 0.34
BCAT2 O15382 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL9305783 0.89 RAB9A (0.34) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8972672 0.85 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8973151 0.80 RAB9A (0.42) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8972448 0.80 LMNA (0.48) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9305602 0.80 GAA (0.44) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL10892271 0.80 RAB9A (0.49) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9305528 0.80 RAB9A (0.44) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL9305097 0.80 MAPT (0.49) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9305778 0.80 RAB9A (0.38) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8972467 0.79 MAPT (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1

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