SCHEMBL9306848

SCHEMBL9306848

Clc1nc2cccc(Cc3ccccc3)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
ELANE P08246 1/20 0.36
HTR2A P28223 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL9306632 0.81 KMT2A (0.37) MEN1KMT2ASMN1; SMN2CYP3A4CYP1A2
SCHEMBL2748445 0.72 PSMB8 (0.40) MEN1KMT2ASMN1; SMN2LMNAELANE
SCHEMBL1851438 0.71 PSMB8 (0.59) MEN1KMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL9304750 0.71 CTRC (0.45) CTRCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL213846 0.70 DHFR (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP1A2
SCHEMBL10341448 0.70 MET (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP1A2
SCHEMBL29501702 0.70 MET (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP1A2
SCHEMBL9305900 0.70 APP (0.46) KMT2ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11403614 0.68 CALM1 (0.52) CTRCMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL20969721 0.68 KDM4E (0.42) MEN1KMT2ASMN1; SMN2LMNAHPGD

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 4 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
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed