SCHEMBL30695510

SCHEMBL30695510

CNC(=O)c1ncc(N2CCN(C(=O)O)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.40
HDAC2 Q92769 7/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
SCD O00767 1/20 0.38
DPP4 P27487 1/20 0.38
RIPK2 O43353 1/20 0.35
OGA O60502 2/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL29215354 0.82 MAPT (0.47) LMNAALDH1A1
SCHEMBL31474259 0.81 HDAC3 (0.53) HDAC3HDAC2HDAC6LMNATHRB
Hydrochloric Acid SCHEMBL29215321 0.80 HDAC3 (0.52) HDAC3HDAC2HDAC6LMNATHRB
SCHEMBL23306608 0.77 RECQL (0.40) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL21066378 0.76 DPP4 (0.38) HDAC3HDAC2HDAC4HDAC1HDAC7
SCHEMBL26613680 0.70 PARP1 (0.49) HDAC3HDAC2KCNH2
SCHEMBL18282487 0.70 ALDH1A1 (0.35) SCDALDH1A1
SCHEMBL20163031 0.69 CKS1B (0.50) LMNAALDH1A1
SCHEMBL5041530 0.66 SMN1; SMN2 (0.45) LMNATHRBDPP4OGARAB9A
SCHEMBL20771270 0.66 TDP1 (0.65) HDAC3HDAC2HDAC4HDAC1HDAC7

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-2023232069-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 成都苑东生物制药股份有限公司 2023-12-07 WO disclosed