SCHEMBL21168407

SCHEMBL21168407

O=C(OCc1ccccc1)C1C=Cc2ccc3cccnc3c2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.49
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
LMNA P02545 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
SCHEMBL29165232 0.80 POLB (0.42) EGLN1POLBL3MBTL1TSHRCASP3
SCHEMBL28570993 0.78 SLC40A1 (0.40) POLBMAPTL3MBTL1TSHRRAB9A
SCHEMBL29365392 0.78 SLC40A1 (0.40) POLBMAPTL3MBTL1TSHRRAB9A
SCHEMBL28219643 0.73 FABP7 (0.43) L3MBTL1TSHRFABP7FABP5LMNA
SCHEMBL15307697 0.68 SLC40A1 (0.43) MAPTL3MBTL1TSHRKDM4ETP53
SCHEMBL19645284 0.67 EGLN1 (0.67) EGLN1POLBMAPTL3MBTL1TSHR
SCHEMBL22918322 0.67 EGLN1 (0.74) EGLN1POLBL3MBTL1TSHRCASP3
SCHEMBL5821276 0.65 LMNA (0.60) EGLN1POLBMAPTL3MBTL1RAB9A
SCHEMBL15307695 0.65 SLC40A1 (0.37) MAPTL3MBTL1TSHRRAB9AKDM4E
SCHEMBL8789037 0.64 HDAC1 (0.62) EGLN1POLBMAPTCASP3RAB9A

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
EP-2752907-B1 ORGANIC LIGHT EMITTING DIODE LG DISPLAY CO LTD (KR) 2019-07-17 EP disclosed