SCHEMBL23099441

SCHEMBL23099441

COCc1nc2ncc(OC)cn2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 13/20 0.38
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
GPR139 Q6DWJ6 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26527717 0.88 ALKBH1 (0.36) ALKBH1AKT1AKT2GPR139EGLN1
SCHEMBL23099412 0.78 POLB (0.33) ALKBH1LMNAPOLB
SCHEMBL26527673 0.74 KDM4E (0.44) KDM4EALDH1A1MEN1LMNAMAPT
SCHEMBL23099556 0.70 KDM4E (0.33) AKT1AKT2KDM4EALDH1A1MEN1
SCHEMBL23099492 0.69 GABRP (0.32) MEN1KMT2ANPC1RAB9A
SCHEMBL23099456 0.69 AGBL2 (0.34) GPR139MEN1KMT2ANPC1RAB9A
SCHEMBL23099503 0.67 GAA (0.50) KDM4EALDH1A1MEN1LMNAMAPT
SCHEMBL23099499 0.65 MTNR1B (0.44) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL26527736 0.64 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24689506 0.63 GABRP (0.34) KDM4EALDH1A1MEN1LMNAHPGD

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-2021048342-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-03-18 WO disclosed