SCHEMBL22308161

SCHEMBL22308161

Cc1c(Br)cccc1C(=N)OO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
F2R P25116 1/20 0.31
MIF P14174 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21636760 0.85 NPC1 (0.36) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL21842993 0.81 F2R (0.40) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL22307186 0.80 F2R (0.33) MAPTNPC1RAB9AF2RKMT2A
SCHEMBL22307183 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4509521 0.76 C1S (0.39) ALDH1A1MAPTHPGDHSD17B10MIF
SCHEMBL2134095 0.74 SMN1; SMN2 (0.37) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL16962049 0.73 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AHPGDHSD17B10
SCHEMBL1363612 0.72 METAP2 (0.45) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL11089840 0.71 PRNP (0.47) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL6559354 0.70 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9AHPGD

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
WO-2022022600-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-03 WO disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed