SCHEMBL9657369

SCHEMBL9657369

Clc1ccc(Oc2ccc(OCc3cccc(Br)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
KCNH2 Q12809 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP19A1 P11511 2/20 0.44
LMNA P02545 1/20 0.43
MAOB P27338 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE5A O76074 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL22314699 0.84 MRGPRX4 (0.58) MRGPRX4KCNH2NPC1RAB9ACYP19A1
SCHEMBL694568 0.76 KCNH2 (0.53) MRGPRX4KCNH2NPC1RAB9ALMNA
SCHEMBL22315216 0.75 KCNH2 (0.66) MRGPRX4KCNH2NPC1RAB9ALMNA
SCHEMBL29826138 0.75 MRGPRX4 (0.64) MRGPRX4NPC1RAB9AMAPTTDP1
SCHEMBL10980485 0.74 HTT (0.47) KCNH2MAOBMEN1KMT2ATSHR
SCHEMBL22315218 0.73 NPC1 (0.49) MRGPRX4KCNH2NPC1RAB9ACYP19A1
SCHEMBL28789092 0.72 MRGPRX4 (0.51) MRGPRX4CYP1A2CYP2C9CYP2C19
SCHEMBL22481085 0.72 MRGPRX4 (1.00) MRGPRX4KCNH2PDE5A
SCHEMBL22314702 0.71 MRGPRX4 (0.45) MRGPRX4KCNH2NPC1RAB9ALMNA
SCHEMBL22314722 0.71 MRGPRX4 (0.48) MRGPRX4KCNH2NPC1RAB9ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241918-B1 1-HYDROXY-2-PYRIDINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM, AS WELL AS INTERMEDIATES FORMED BY THE PREPARATION OF 1-HYDROXY-2-PYRIDINONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4797409-A FUNGICIDES, YEAST INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0241918-A2 1-Hydroxy-2-pyridinones, process for their preparation and medicines containing them, as well as intermediates formed by the preparation of 1-hydroxy-2-pyridinones HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-21 EP disclosed