SCHEMBL9304818

SCHEMBL9304818

O=C(O)CCC(CSc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 5/20 0.56
LMNA P02545 2/20 0.53
BCHE P06276 1/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.50
EPHX2 P34913 1/20 0.50
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10762110 0.94 KMT2A (0.57) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL8972674 0.87 KMT2A (0.68) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL8973070 0.82 KMT2A (0.63) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL10759387 0.81 KMT2A (0.60) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL10890184 0.80 KMT2A (0.73) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL11021423 0.79 KMT2A (0.63) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL10821280 0.79 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL9303824 0.79 KMT2A (0.67) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL10685902 0.78 LMNA (0.80) KMT2ASMN1; SMN2RAB9ALMNABCHE
SCHEMBL9305881 0.78 KMT2A (0.61) KMT2ASMN1; SMN2RAB9ALMNABCHE

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 6 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
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed