SCHEMBL21170107

SCHEMBL21170107

C=C1Nc2ccc(-c3ccc(NCC(C)(C)c4ccccc4)nn3)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IL1B P01584 7/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ ACHE P22303 3/20 0.33
▸ TNF P01375 1/20 0.32

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
SCHEMBL21170134 0.89 PSEN1 (0.37) NPC1RAB9AIL1BTNF
SCHEMBL21170239 0.86 PSEN1 (0.33) NPC1USP2TP53RAB9ASMN1; SMN2
SCHEMBL21170358 0.83 PSEN1 (0.39) NPC1RAB9AIL1BTNF
SCHEMBL21170238 0.80 PSEN1 (0.37) NPC1RAB9AIL1BTNF
SCHEMBL12289929 0.77 KCNA5 (0.39) NPC1USP2TP53RAB9ASMN1; SMN2
SCHEMBL21170112 0.74 PSEN1 (0.35) NPC1RAB9AIL1BTNF
SCHEMBL21170490 0.74 SLC6A2 (0.38) NPC1RAB9AIL1BTNF
SCHEMBL21170473 0.74 PSEN1 (0.35) NPC1RAB9AIL1BTNF
SCHEMBL12287901 0.72 NPC1 (0.45) NPC1USP2TP53RAB9ASMN1; SMN2
SCHEMBL21170341 0.70 IL1B (0.39) NPC1USP2TP53RAB9ASMN1; SMN2

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
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP disclosed
Send feedback