SCHEMBL7005488

SCHEMBL7005488

O=c1c2cc3ccccc3n2ccn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
CCR2 P41597 1/20 0.43
LMNA P02545 4/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK14 Q16539 4/20 0.40
POLB P06746 1/20 0.40
PDE1C Q14123 2/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL7006801 0.81 MAPK14 (0.54) MEN1KMT2AMAPK14
SCHEMBL7003290 0.77 CNR2 (0.41) HPGDMAPTALDH1A1HTTHSD17B10
SCHEMBL7002892 0.75 HTR2C (0.54) HPGDMAPTALDH1A1HTTHSD17B10
SCHEMBL7003158 0.75 MAPK14 (0.48) MAPK14
SCHEMBL7004254 0.72 DAO (0.46) HPGDMAPTALDH1A1HTTHSD17B10
SCHEMBL29809414 0.69 ACHE (0.59) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL1757848 0.69 ACHE (0.59) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL27478800 0.68 F2 (0.54) HPGDMAPTALDH1A1HTTMEN1
SCHEMBL31021 0.68 HTR6 (0.73) KMT2APOLB
SCHEMBL29509279 0.68 HTR6 (0.73) KMT2APOLB

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed