SCHEMBL1289470

SCHEMBL1289470

c1ccc2[nH]c(-c3nc(NCCCN4CCOCC4)c4ccccc4n3)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.70
▸ TSHR P16473 4/20 0.70
▸ ALOX15 P16050 3/20 0.70
▸ TP53 P04637 1/20 0.70
▸ MAPT P10636 5/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ POLB P06746 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ HTT P42858 1/20 0.64
▸ ACP1 P24666 3/20 0.63
▸ LMNA P02545 4/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ RAD52 P43351 1/20 0.56
▸ RAB9A P51151 1/20 0.56

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
Hydrochloric Acid SCHEMBL4495246 0.99 MAPK1 (0.68) MAPK1TSHRALOX15TP53MAPT
SCHEMBL1289434 0.82 MAPK1 (0.71) MAPK1TSHRALOX15TP53MAPT
Hydrochloric Acid SCHEMBL4511251 0.81 MAPK1 (0.70) MAPK1TSHRALOX15TP53MAPT
SCHEMBL1084021 0.79 SMN1; SMN2 (0.79) MAPK1TSHRALOX15TP53MAPT
SCHEMBL4084663 0.78 CYP1A2 (0.88) MAPK1TSHRALOX15TP53MAPT
SCHEMBL1289489 0.78 ALDH1A1 (0.65) MAPK1KMT2APOLBALDH1A1ACP1
SCHEMBL17695161 0.78 KMT2A (1.00) MAPK1TSHRALOX15TP53MAPT
Hydrochloric Acid SCHEMBL4502066 0.77 ALDH1A1 (0.67) MAPK1KMT2APOLBALDH1A1ACP1
SCHEMBL1085597 0.76 ACP1 (0.87) MAPK1TSHRALOX15TP53MAPT
SCHEMBL4920191 0.75 ALOX15 (0.67) MAPK1TSHRALOX15TP53MAPT

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