SCHEMBL27761900

SCHEMBL27761900

O=[C]Nc1nccc2c1[nH]c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 9/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ GABRP O00591 1/20 0.54
▸ GABRD O14764 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ GABRA1 P14867 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ GABRB1 P18505 1/20 0.54
▸ GABRG2 P18507 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAOA P21397 1/20 0.54

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
SCHEMBL29034919 0.80 TDO2 (0.58) TDO2KDM4EMEN1MAPTMAPK1
SCHEMBL28331911 0.80 TDO2 (0.58) TDO2KDM4EMEN1MAPTMAPK1
SCHEMBL27908742 0.80 TDO2 (0.63) TDO2KDM4EMEN1MAPTMAPK1
Ethylene SCHEMBL8176272 0.77 TDO2 (0.55) TDO2KDM4EMEN1MAPTMAPK1
SCHEMBL31193469 0.77 EGFR (0.61) TDO2KDM4EMEN1MAPTMAPK1
SCHEMBL27778673 0.76 JAK2 (0.53) MAPTALDH1A1HSD17B10PARP14
SCHEMBL29019937 0.75 TDO2 (0.56) TDO2KDM4EMEN1MAPTMAPK1
SCHEMBL31403068 0.74 KDM4E (0.56) TDO2KDM4EMEN1MAPTMAPK1
Furan SCHEMBL28582242 0.73 GLA (0.48) TDO2KDM4EMEN1MAPTMAPK1
SCHEMBL27817460 0.73 TDO2 (0.80) TDO2KDM4EMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101420980-A The Compounds and methods for of treatment apoplexy FIBROGEN INC (US) 2009-04-29 — — CN disclosed
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