SCHEMBL4761685

SCHEMBL4761685

Cc1cccc(/C=C/c2ccccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 5/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
GRM5 P41594 2/20 0.59
CYP2C9 P11712 2/20 0.59
HPGD P15428 2/20 0.59
CYP2C19 P33261 2/20 0.59
GRM4 Q14833 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
THPO P40225 1/20 0.59

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
SCHEMBL4761687 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4712448 0.88 KMT2A (0.53) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4712450 0.88 KMT2A (0.53) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4710535 0.82 RAB9A (0.62) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4710302 0.82 ALDH1A1 (0.58) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4710534 0.82 RAB9A (0.62) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4710298 0.82 ALDH1A1 (0.58) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4712658 0.81 RAB9A (0.76) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4711545 0.79 MEN1 (0.59) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL4711546 0.79 MEN1 (0.59) KMT2AALDH1A1MEN1RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed