SCHEMBL4713317

SCHEMBL4713317

Cc1cccc(/C=C/c2cc(Br)ccc2O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.52
▸ MEN1 O00255 11/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GRM5 P41594 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THPO P40225 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
SCHEMBL4713319 1.00 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4713163 0.82 MEN1 (0.67) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4713161 0.82 MEN1 (0.67) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4711546 0.80 MEN1 (0.59) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4711545 0.80 MEN1 (0.59) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27514516 0.78 KMT2A (0.61) KMT2AMEN1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL16915436 0.78 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL16915438 0.78 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19585048 0.78 MEN1 (0.47) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4713488 0.78 MEN1 (0.51) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 — — EP claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 — — EP disclosed
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 — — CN 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
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 — — CN disclosed
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