SCHEMBL29846396

SCHEMBL29846396

O=C(NCC1=NOCC1)c1cccc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 5/20 0.48
▸ KAT6A Q92794 2/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CNR2 P34972 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CTSA P10619 2/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40

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
SCHEMBL29846619 0.81 P2RX7 (0.51) HPGDALDH1A1CTSA
SCHEMBL29846887 0.79 P2RX7 (0.54) HPGDALDH1A1
SCHEMBL29846651 0.77 P2RY12 (0.45) P2RY12KAT6AHPGDCNR2ALDH1A1
SCHEMBL29847223 0.77 PRMT5 (0.49) KAT6A
SCHEMBL29846762 0.75 POLB (0.55) —
SCHEMBL26571005 0.74 EGLN1 (0.61) P2RY12KAT6AHPGDCNR2ALDH1A1
SCHEMBL18377768 0.74 KAT6A (0.55) P2RY12KAT6AHPGDCNR2ALDH1A1
SCHEMBL20266989 0.72 P2RY12 (0.54) P2RY12KAT6AHPGDCNR2CTSA
SCHEMBL2551394 0.72 KAT6A (0.58) P2RY12KAT6ACNR2ALDH1A1CTSA
SCHEMBL1111065 0.71 CNR2 (0.52) P2RY12KAT6AHPGDCNR2ALDH1A1

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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
Send feedback