SCHEMBL12473442

SCHEMBL12473442

CN(C)C(CCN)c1nc(-c2cc3ccccc3o2)nc2cccc(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ NISCH Q9Y2I1 2/20 0.33
▸ PGK1 P00558 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ F2RL3 Q96RI0 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ GRM4 Q14833 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ ADRA2A P08913 1/20 0.30

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
SCHEMBL12473322 0.89 PRMT7 (0.34) ALDH1A1MEN1KMT2ANISCHMAPT
SCHEMBL12473398 0.85 PDE10A (0.37) ALDH1A1MEN1KMT2ANISCHMAPT
SCHEMBL12473283 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACXCR1CXCR2
SCHEMBL12473277 0.84 MAPT (0.35) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12473402 0.82 NPC1 (0.41) ALDH1A1KMT2ACXCR1CXCR2MAPT
SCHEMBL12473403 0.82 BCHE (0.34) ALDH1A1MEN1KMT2ACXCR1CXCR2
SCHEMBL12473348 0.80 PDE4D (0.33) ALDH1A1MEN1KMT2ACXCR1CXCR2
SCHEMBL12473319 0.79 PRMT7 (0.35) ALDH1A1MEN1KMT2ANISCHMAPT
SCHEMBL12473280 0.79 F2RL3 (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12473410 0.79 PRMT7 (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E

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
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
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