SCHEMBL30649092

SCHEMBL30649092

O=C(O)c1ccc2[nH]c3ccccc3c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
GABRQ Q9UN88 1/20 0.53
DYRK1A Q13627 1/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44

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
SCHEMBL29709826 0.77 CA5A (0.56) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL10376053 0.74 GABRP (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL15724493 0.72 ALDH1A1 (0.45) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL18889768 0.72 NPC1 (0.53) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL30293720 0.72 KDM4E (0.52) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL31219105 0.72 KDM4E (0.49) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL7036195 0.72 KDM4E (0.62) KMT2AKDM4ELMNATDP1MGAM
SCHEMBL31219222 0.72 NPC1 (0.53) KMT2AGABRPGABRDGABRA1GABRB1
Carbazole SCHEMBL8411559 0.71 ALDH1A1 (0.74) KMT2AGABRPGABRDGABRA1GABRB1
Carbazole SCHEMBL27864756 0.71 LMNA (0.69) KMT2AGABRPGABRDGABRA1GABRB1

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-4273150-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2023-11-08 EP disclosed