SCHEMBL5072439

SCHEMBL5072439

Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.58
▸ ALDH1A1 P00352 6/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM6B O15054 1/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ KDM5C P41229 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ KDM2A Q9Y2K7 1/20 0.46
▸ KDM3A Q9Y4C1 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ RAB9A P51151 2/20 0.45

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
SCHEMBL8329965 0.81 LMNA (0.50) ADORA3ALDH1A1KMT2AMEN1POLB
SCHEMBL1104803 0.79 CCR1 (0.64) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL22468515 0.79 KDM4E (0.47) ADORA3ALDH1A1KMT2APOLBCYP3A4
SCHEMBL19278321 0.78 KDM4C (0.77) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL17132034 0.76 CCR1 (0.63) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL29814525 0.76 KDM4E (0.47) ALDH1A1KMT2ACYP3A4KDM4EHPGD
SCHEMBL9955206 0.76 KDM4E (0.47) ALDH1A1KMT2ACYP3A4KDM4EHPGD
SCHEMBL30679777 0.75 CSNK2A1 (0.59) ALDH1A1KMT2AMEN1KDM4ETP53
SCHEMBL107259 0.75 CSNK2A1 (0.59) ALDH1A1KMT2AMEN1KDM4ETP53
SCHEMBL1104818 0.75 CCR1 (0.55) ALDH1A1KMT2AMAPTMEN1POLB

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-1901363-A1 LUMINESCENT DEVICE AND ELECTROLUMINESCENCE UTILIZING THE SAME Gifu University (JP) 2008-03-19 — — EP claimed
EP-1901363-A1 LUMINESCENT DEVICE AND ELECTROLUMINESCENCE UTILIZING THE SAME Gifu University (JP) 2008-03-19 — — EP disclosed
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