SCHEMBL29903003

SCHEMBL29903003

NC(=O)Oc1cccc2cccnc12.O=C(O)Nc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
LMNA P02545 4/20 0.54
KDR P35968 1/20 0.54
METAP2 P50579 1/20 0.54
METAP1 P53582 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 4/20 0.53
POLB P06746 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 2/20 0.50
HCRTR1 O43613 1/20 0.50

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
Carbamic Acid SCHEMBL28080599 0.88 LMNA (0.68) HSP90AA1LMNAMETAP2METAP1HDAC6
SCHEMBL111242 0.86 LMNA (0.65) HSP90AA1LMNAMETAP2METAP1HDAC6
SCHEMBL29851236 0.85 KDR (0.71) CYP1A2CYP3A4KDRHDAC6MEN1
SCHEMBL1695444 0.85 KDR (0.71) CYP1A2CYP3A4KDRHDAC6MEN1
SCHEMBL3549883 0.77 CYP1A2 (0.71) CYP1A2CYP3A4LMNAKDRHDAC6
SCHEMBL3415803 0.76 LMNA (0.71) HSP90AA1LMNAMETAP2METAP1HDAC6
SCHEMBL28459061 0.74 LMNA (0.69) HSP90AA1LMNAMETAP2METAP1HDAC6
SCHEMBL8458715 0.74 ALDH1A1 (0.46) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28131091 0.74 HSP90AA1 (0.68) HSP90AA1LMNAMETAP2METAP1HDAC6
SCHEMBL7360935 0.73 HSP90AA1 (1.00) HSP90AA1LMNAKDRMETAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945572-B HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 周美吟 2025-01-28 CN disclosed
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 CN disclosed