SCHEMBL29653149

SCHEMBL29653149

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
KCNJ1 P48048 1/20 0.55
ALDH1A1 P00352 5/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
APP P05067 1/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL29334037 0.88 MAPT (0.53) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL29337401 0.86 CNR2 (0.56) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL3162128 0.84 KCNH2 (0.63) KCNH2KCNJ1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL10919667 0.84 KCNH2 (0.51) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL6233097 0.83 APLNR (0.53) ALDH1A1LMNAMAPT
SCHEMBL17817840 0.80 ALDH1A1 (0.61) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL17817839 0.80 ALDH1A1 (0.61) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL15746105 0.80 ALDH1A1 (0.61) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL14880488 0.80 KCNJ1 (0.63) KCNH2KCNJ1ALDH1A1POLBLMNA
SCHEMBL492221 0.80 APP (0.70) KCNH2KCNJ1ALDH1A1POLBLMNA

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-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed