SCHEMBL7703197

SCHEMBL7703197

Nc1cccc(-c2cc(N)nc(N)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.60
▸ MAP4K4 O95819 4/20 0.57
▸ MEN1 O00255 3/20 0.53
▸ PSIP1 O75475 1/20 0.53
▸ AXL P30530 1/20 0.53
▸ MKNK1 Q9BUB5 1/20 0.53
▸ MKNK2 Q9HBH9 1/20 0.53
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MECP2 P51608 1/20 0.50
▸ DYRK1A Q13627 2/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ TSHR P16473 1/20 0.46

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
SCHEMBL14387155 0.83 MAOA (0.75) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL29520747 0.83 MAOA (0.75) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL251095 0.83 MAOA (0.83) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL30500254 0.83 MAOA (0.83) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL29403794 0.83 MAOA (0.83) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL17264896 0.80 MAOA (0.71) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL2445085 0.80 MAOA (0.71) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL13447707 0.80 MAOA (0.71) MAOAMAP4K4MEN1PSIP1AXL
Water SCHEMBL2444002 0.80 MAOA (0.79) MAOAMAP4K4MEN1PSIP1AXL
Ammonia Solution, Strong SCHEMBL21296174 0.80 MAOA (0.79) MAOAMAP4K4MEN1PSIP1AXL

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 — — US disclosed
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