SCHEMBL28620849

SCHEMBL28620849

CCN(CC)Cc1c(-c2ccc(OC)cc2)nc2ccccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55
▸ TUBB2A Q13885 1/20 0.55
▸ TUBB8 Q3ZCM7 1/20 0.55
▸ TUBA3E Q6PEY2 1/20 0.55
▸ TUBA1A Q71U36 1/20 0.55
▸ TUBA1C Q9BQE3 1/20 0.55
▸ TUBB6 Q9BUF5 1/20 0.55

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
SCHEMBL28630208 0.87 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2HTT
SCHEMBL28630911 0.87 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28615473 0.86 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28616235 0.85 KDM4E (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28620514 0.85 NPC1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28627525 0.84 RAB9A (0.54) NPC1RAB9AKDM4ESMN1; SMN2HTT
SCHEMBL28630210 0.82 HDAC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28622641 0.82 KDM4E (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28622693 0.77 NPC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2HTT
SCHEMBL30040616 0.77 NPC1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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
CN-113372346-B Synthetic method of 3-fatty amine methyl imidazo [1, 2-alpha ] pyridine compound 南华大学 2022-08-19 — — CN disclosed
CN-113372346-A Synthetic method of 3-fatty amine methyl imidazo [1, 2-alpha ] pyridine compound 南华大学 2021-09-10 — — CN disclosed
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