SCHEMBL12473298

SCHEMBL12473298

CN(C)C(CCN)c1nc(-c2cc3ccccc3[nH]2)nc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.37
▸ ITK Q08881 6/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ AURKA O14965 1/20 0.33

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
SCHEMBL12473413 0.87 KMT2A (0.46) ITKNPC1RAB9AKDM4EMEN1
SCHEMBL12473440 0.87 KDM4E (0.41) ITKNPC1RAB9ATUBB4ATUBB
SCHEMBL12473301 0.80 APP (0.37) APPITKNPC1RAB9ATUBB4A
SCHEMBL12473326 0.79 KDM4E (0.42) ITKNPC1RAB9AKDM4EMEN1
SCHEMBL12473354 0.78 KDM1A (0.49) APPNPC1RAB9AALDH1A1
SCHEMBL12473398 0.78 PDE10A (0.37) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL12473414 0.72 MAPT (0.35) NPC1RAB9AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4509842 0.70 ITK (0.36) APPITKNPC1RAB9ATUBB4A
SCHEMBL4496945 0.69 NPC1 (0.49) ITKNPC1RAB9ATUBB4ATUBB
SCHEMBL12473350 0.69 PDE10A (0.39) NPC1RAB9AKDM4EMEN1ALDH1A1

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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