SCHEMBL23929230

SCHEMBL23929230

O=[C]c1ccnn1CCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 1/20 0.38
DAO P14920 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOA P21397 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
FLT1 P17948 2/20 0.34
KDR P35968 2/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL30034467 0.77 CYP19A1 (0.41) PKMALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL20916897 0.74 FLT1 (0.47) FLT1KDRKDM5AKDM5B
SCHEMBL2515596 0.69
SCHEMBL14937886 0.64 CYP19A1 (0.41) ALDH1A1CYP19A1DAORAB9AMAOA
SCHEMBL2123942 0.62
SCHEMBL980506 0.62 TAAR1 (0.50) DAOTAAR1
SCHEMBL7437052 0.61 TAAR1 (0.68) DAOTAAR1
SCHEMBL3609829 0.61 PKM (0.49) PKMALDH1A1MAPTCYP19A1MITF
SCHEMBL1491118 0.61 KDM4E (0.68) PKMALDH1A1MAPTCYP19A1MITF
SCHEMBL16719036 0.60 CYP19A1 (0.81) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139275-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF Syneurx International (Taiwan) Corp. (TW) 2023-03-01 EP disclosed
WO-2021213500-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF SYNEURX INTERNATIONAL (TAIWAN) CORP. (CN) 2021-10-28 WO disclosed