SCHEMBL21894537

SCHEMBL21894537

CNc1ccc2c(c1)COCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
PIR O00625 1/20 0.37
PIK3CD O00329 1/20 0.37
MAP4K1 Q92918 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 3/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
SYK P43405 1/20 0.31
P2RX3 P56373 1/20 0.31
ADRA2A P08913 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL24783883 0.93 MAP4K1 (0.36) BTKPIRPIK3CDMAP4K1RAPGEF4
SCHEMBL10094593 0.84 SYK (0.40) PIK3CDMAP4K1RAPGEF4NPC1RAB9A
SCHEMBL30476640 0.78 RAPGEF4 (0.44) RAPGEF4NPC1RAB9APOLBHTT
SCHEMBL13990429 0.78 RAPGEF4 (0.44) RAPGEF4NPC1RAB9APOLBHTT
SCHEMBL6292391 0.76 PIR (0.47) PIRMAPK1NPC1RAB9APOLB
SCHEMBL28411207 0.75 MAPT (0.43) NPC1RAB9APOLBHPGDHTT
SCHEMBL13606983 0.75 SMN1; SMN2 (0.40) ALDH1A1PKMSMN1; SMN2
SCHEMBL8237889 0.75 PIK3CD (0.36) BTKPIRPIK3CDRAB9APOLB
SCHEMBL4546338 0.74 RAPGEF4 (0.55) RAPGEF4NPC1RAB9APOLBHPGD
SCHEMBL12385887 0.74 RAPGEF4 (0.50) RAPGEF4NPC1RAB9APOLBHPGD

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed