SCHEMBL29958138

SCHEMBL29958138

Cc1ccc(B(O)O)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
CA2 P00918 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
RAB9A P51151 5/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
PLAU P00749 1/20 0.41
MAPT P10636 1/20 0.41
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
METAP2 P50579 1/20 0.35

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
SCHEMBL200776 1.00 CCR1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL1843031 0.88 CCR1 (0.39) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL10092631 0.73 ENPP2 (0.40) CA2LPLLIPGKDM4E
SCHEMBL29954840 0.73 ENPP2 (0.40) CA2RAB9AMAPTNPC1KDM4E
SCHEMBL8931093 0.73 CCR1 (0.44) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL28375630 0.71 ADRA2A (0.42) CA2RAB9AADRA2AADRA2BADRA2C
SCHEMBL2210203 0.71 L3MBTL1 (0.45) RAB9AADRA2AADRA2BADRA2CPLAU
SCHEMBL29957065 0.71 NOS3 (0.44) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29681228 0.71 ORAI1 (0.37) RAB9AORAI1ORAI2ORAI3TRPV6
SCHEMBL29956057 0.71 ADRA2A (0.42) CA2RAB9AADRA2AADRA2BADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678641-A1 QUINOLINONE COMPOUND AND NAPHTHYRIDINONE COMPOUND AND USE THEREOF Shanghai Helioson Pharmaceutical Co., Ltd. (CN) 2026-01-14 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed