SCHEMBL30002811

SCHEMBL30002811

N#Cc1cccc(B(O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 1.00
P4HB P07237 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MGLL Q99685 2/20 0.47
TSHR P16473 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
GSK3B P49841 2/20 0.42
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4883 1.00 ENPP2 (1.00) ENPP2P4HBALDH1A1KDM4EMGLL
SCHEMBL29953646 0.88 ENPP2 (0.79) ENPP2P4HBMGLLCLK4
SCHEMBL22484828 0.88 ENPP2 (0.79) ENPP2P4HBMGLLCLK4
SCHEMBL12319394 0.87 ENPP2 (0.77) ENPP2P4HBALDH1A1TSHRGSK3B
SCHEMBL17694495 0.83 ENPP2 (0.71) ENPP2P4HBALDH1A1TSHRGSK3B
SCHEMBL26338229 0.83 ENPP2 (0.71) ENPP2P4HBALDH1A1TSHRGSK3B
SCHEMBL14392863 0.82 ENPP2 (0.69) ENPP2P4HBALDH1A1TSHRGSK3B
SCHEMBL16016633 0.79 ENPP2 (0.65) ENPP2ALDH1A1KDM4EMGLL
SCHEMBL1820855 0.79 ENPP2 (0.65) ENPP2P4HBALDH1A1TSHRGSK3B
SCHEMBL1187527 0.79 ENPP2 (0.65) ENPP2P4HBALDH1A1TSHRGSK3B

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
EP-4598535-A2 INHIBITORS OF SPNS2 AND USES THEREOF New York University (US) 2025-08-13 EP disclosed
WO-2024076610-A2 INHIBITORS OF SPNS2 AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-04-11 WO disclosed
CN-115380099-A Organic light emitting compound and organic light emitting device including the same 株式会社P&H TECH 2022-11-22 CN disclosed