SCHEMBL29956624

SCHEMBL29956624

COc1nc(N)ccc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
NCF1 P14598 1/20 0.38
ENPP2 Q13822 2/20 0.36
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
NOS1 P29475 2/20 0.34
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRG1 Q8N1C3 3/20 0.33

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
SCHEMBL12294984 0.80 CRHBP (0.38) ENPP2MEN1LMNAMAPTKMT2A
SCHEMBL29927287 0.80 CRHBP (0.38) ENPP2MEN1LMNAMAPTKMT2A
SCHEMBL321488 0.78 POLB (0.52) ENPP2MEN1NPC1MAPTMAPK1
SCHEMBL320788 0.78 APOBEC3A (0.41) ENPP2KDM4ENPC1LMNAMAPT
SCHEMBL31016804 0.76 ENPP2 (0.36) ENPP2CA1CA2ORAI1ORAI2
SCHEMBL194963 0.76 ENPP2 (0.36) ENPP2CA1CA2ORAI1ORAI2
SCHEMBL15010557 0.76 ENPP2 (0.36) ENPP2CA1CA2ORAI1ORAI2
SCHEMBL20679536 0.75 NCF1 (0.40) MCHR1NCF1NOS3NOS2NOS1
SCHEMBL13746013 0.74 NCF1 (0.42) MCHR1NCF1NOS3NOS2NOS1
SCHEMBL16023211 0.73 CCR1 (0.41) ENPP2CA1CA2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed