SCHEMBL23905501

SCHEMBL23905501

O=C(O)c1cc(OC2CC2)c2ncc(Br)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
KMO O15229 6/20 0.38
SCD O00767 6/20 0.36
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
OPRK1 P41145 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 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
SCHEMBL23195900 0.85 KMO (0.44) KMT2AKMOHCAR2PDE4DPDE4A
SCHEMBL23904848 0.85 KMO (0.37) KMT2AKMOSCDPDE4DPDE4A
SCHEMBL23904835 0.84 SCD (0.39) KMT2AKMOSCDHCAR2PDE4D
SCHEMBL30007139 0.84 KMO (0.40) KMT2AKMOHCAR2PDE4DPDE4A
SCHEMBL23196004 0.84 KMO (0.40) KMT2AKMOHCAR2PDE4DPDE4A
SCHEMBL23905324 0.84 OPRK1 (0.42) OPRK1NPC1RAB9ASMN1; SMN2
SCHEMBL23904830 0.82 KMT2A (0.44) KMT2AKMOPDE4DPDE4APDE4B
SCHEMBL23195609 0.81 CA12 (0.47) KMT2APOLBHCAR2
SCHEMBL23195592 0.77 LMNA (0.44) KMOPDE4DPDE4A
SCHEMBL29620722 0.77 LMNA (0.44) KMOPDE4DPDE4A

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed