SCHEMBL22451815

SCHEMBL22451815

Clc1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.49
TNKS O95271 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AHR P35869 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
RET P07949 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL9950424 0.89 KDM4E (0.49) GPR84TNKSALDH1A1KMT2AMAPT
SCHEMBL29363031 0.89 KDM4E (0.49) GPR84TNKSALDH1A1KMT2AMAPT
SCHEMBL31130390 0.88 GPR84 (0.46) GPR84TNKSALDH1A1KMT2AMAPT
SCHEMBL9949996 0.85 KDM4E (0.43) GPR84ALDH1A1KMT2AMAPTMEN1
SCHEMBL22688463 0.85 MAOB (0.46) GPR84TNKSALDH1A1KMT2AMEN1
SCHEMBL21019258 0.85 CYP1A1 (0.42) GPR84TNKSALDH1A1KMT2AMAPT
SCHEMBL21861131 0.84 MAPT (0.44) GPR84ALDH1A1KMT2AMAPTMEN1
SCHEMBL22445095 0.84 CYP19A1 (0.48) GPR84TNKSALDH1A1KMT2AMAPT
SCHEMBL19961045 0.83 GPR84 (0.39) GPR84TNKSALDH1A1KMT2AMEN1
SCHEMBL25869749 0.83 GPR84 (0.39) GPR84TNKSALDH1A1KMT2AMEN1

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-2020190034-A1 NOVEL NAPHTHOFURAN DERIVATIVE AND USE OF SAME 서울대학교 산학협력단 2020-09-24 WO disclosed