SCHEMBL9348307

SCHEMBL9348307

O=c1c(CCCCBr)c(O)c2cccnc2n1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 6/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37
FEN1 P39748 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9348224 0.91 HSD17B10 (0.41) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL9348283 0.91 MAPT (0.46) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL10377542 0.89 MAPT (0.44) CYP1A2CYP2C19MAPTHPGDKDM4E
SCHEMBL10378878 0.89 KAT2B (0.42) MAPTMEN1KMT2AKDM4EPTGDR2
SCHEMBL9349392 0.88 FEN1 (0.49) CYP1A2CYP2C19MAPTHPGDKDM4E
SCHEMBL10377279 0.87 SMN1; SMN2 (0.44) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL9799559 0.80 CYP1A2 (0.44) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL10427752 0.80 KMT2A (0.50) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL9348174 0.80 MAPT (0.44) CYP1A2CYP2C19MAPTHPGDKDM4E
SCHEMBL10379180 0.79 KAT2B (0.42) MAPTMEN1KMT2AKDM4EPTGDR2

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-5350755-A Treatment of psoriasis or eczema with naphthyridine derivative SCHERING CORPORATION (US) 1994-09-27 US disclosed
EP-0144996-B1 SUBSTITUTED SPIRO PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1990-02-28 EP disclosed
US-4652564-A Substituted spiro pyridine derivatives as anti-allergy and antiinflammatory agents SCHERING CORPORATION (US) 1987-03-24 US disclosed
EP-0144996-A2 Substituted spiro pyridine derivatives, pharmaceutical compositions containing them and processes for the preparation of such compounds and compositions SCHERING CORPORATION (US) 1985-06-19 EP disclosed