SCHEMBL30118917

SCHEMBL30118917

O=C(c1ccccn1)c1ccncc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HSD17B14 Q9BPX1 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
MEN1 O00255 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 1/20 0.39
ATG4B Q9Y4P1 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
SCHEMBL22406342 1.00 KMT2A (0.51) KMT2ACES2CES1HSD17B14L3MBTL1
SCHEMBL8710005 0.82 KMT2A (0.58) KMT2ACES2CES1HSD17B14L3MBTL1
SCHEMBL30118935 0.82 KMT2A (0.58) KMT2ACES2CES1HSD17B14L3MBTL1
SCHEMBL22426344 0.81 P2RX1 (0.40) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL28255112 0.80 KDM4C (0.47) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL22406359 0.79 P2RX7 (0.44) KMT2ACES1L3MBTL1ALDH1A1KDM4E
SCHEMBL22406337 0.78 RAB9A (0.60) KMT2ACES2CES1ALDH1A1RAB9A
SCHEMBL30118904 0.78 RAB9A (0.60) KMT2ACES2CES1ALDH1A1RAB9A
SCHEMBL31369148 0.75 KMT2A (0.75) KMT2ACES2CES1HSD17B14L3MBTL1
SCHEMBL87791 0.75 KMT2A (0.75) KMT2ACES2CES1HSD17B14L3MBTL1

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
CN-115667256-A Compounds for treating diseases and methods of treating diseases 艾特里提治疗有限公司 2023-01-31 CN disclosed