SCHEMBL8102349

SCHEMBL8102349

O=C(O)c1cccc2c(-c3ncccn3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
KDM4A O75164 2/20 0.49
EGLN1 Q9GZT9 2/20 0.49
RAB9A P51151 1/20 0.49
HIF1AN Q9NWT6 1/20 0.49
KDM6B O15054 1/20 0.49
KDM6A O15550 1/20 0.49
TET3 O43151 1/20 0.49
KDM4B O94953 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
TET1 Q8NFU7 1/20 0.49
FTO Q9C0B1 1/20 0.49

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
SCHEMBL465563 0.82 KDM4E (0.55) KDM4ETDP1L3MBTL1RAB9AKDM4C
SCHEMBL30720582 0.82 NR4A1 (0.64) KDM4ENR4A1NR4A2NR4A3TDP1
SCHEMBL1324771 0.82 NR4A1 (0.64) KDM4ENR4A1NR4A2NR4A3TDP1
SCHEMBL28455317 0.81 KDM4E (0.50) KDM4ETDP1L3MBTL1ALDH1A1ALOX15
SCHEMBL435474 0.81 HNF4A (0.59) KDM4ETDP1L3MBTL1KDM4AEGLN1
SCHEMBL7751865 0.80 NAPRT (0.55) KDM4ETDP1L3MBTL1ALDH1A1ALOX15
SCHEMBL126694 0.80 KDM4E (0.48) KDM4ETDP1L3MBTL1KDM4CALDH1A1
SCHEMBL8111830 0.80 DHODH (0.53) KDM4ENR4A1NR4A2NR4A3TDP1
SCHEMBL27985 0.79 NR4A1 (0.73) KDM4ENR4A1NR4A2NR4A3L3MBTL1
SCHEMBL29406795 0.79 NR4A1 (0.73) KDM4ENR4A1NR4A2NR4A3L3MBTL1

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-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO disclosed