SCHEMBL12473443

SCHEMBL12473443

COc1ccc2nc(-c3cc4ccccc4[nH]3)nc(C(N)CCN(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR5A P47898 2/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL12473328 0.92 KMT2A (0.42) KDM4ENPC1MAPTRAB9ALMNA
SCHEMBL12473416 0.89 KDM4E (0.46) KDM4ENPC1MAPTRAB9ALMNA
SCHEMBL12473301 0.87 APP (0.37) NPC1RAB9AHTR2CITKTERT
SCHEMBL12473440 0.83 KDM4E (0.41) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL12473282 0.81 KDM1A (0.42) KDM4EMAPTLMNASLC6A4MEN1
SCHEMBL1289424 0.78 RAD52 (0.59) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL12473326 0.75 KDM4E (0.42) KDM4ENPC1MAPTRAB9ALMNA
SCHEMBL12473413 0.72 KMT2A (0.46) KDM4ENPC1MAPTRAB9ALMNA
SCHEMBL1289534 0.70 RAD52 (0.67) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL1289551 0.70 RAD52 (0.56) KDM4EMAPTLMNAMEN1KMT2A

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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