SCHEMBL12473301

SCHEMBL12473301

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.37
▸ TERT O14746 2/20 0.36
▸ ITK Q08881 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NCF1 P14598 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ 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

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
SCHEMBL12473416 0.87 KDM4E (0.46) TERTITKNPC1RAB9AALDH1A1
SCHEMBL12473443 0.87 KDM4E (0.41) TERTITKNPC1RAB9AHTR2C
SCHEMBL12473298 0.80 APP (0.37) APPITKNPC1RAB9AALDH1A1
SCHEMBL12473356 0.78 KDM1A (0.49) APPALDH1A1NCF1TLR9
SCHEMBL1289489 0.74 ALDH1A1 (0.65) TERTNPC1RAB9AALDH1A1TLR9
Hydrochloric Acid SCHEMBL4502066 0.73 ALDH1A1 (0.67) TERTNPC1RAB9AALDH1A1TLR9
SCHEMBL4496945 0.69 NPC1 (0.49) ITKNPC1RAB9AALDH1A1TUBB4A
SCHEMBL12473440 0.69 KDM4E (0.41) ITKNPC1RAB9AALDH1A1TUBB4A
SCHEMBL12473413 0.69 KMT2A (0.46) ITKNPC1RAB9AALDH1A1
SCHEMBL4778639 0.69 SLC2A1 (0.48) NPC1RAB9AALDH1A1NCF1ACHE

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
Send feedback