SCHEMBL23536208

SCHEMBL23536208

O=[N+]([O-])c1ccccc1OCc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.56
RAB9A P51151 3/20 0.55
RECQL P46063 2/20 0.55
NPC1 O15118 2/20 0.55
HPD P32754 1/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 1/20 0.46
MAPK14 Q16539 1/20 0.46
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45

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
SCHEMBL21685600 0.87 HSPB1 (0.51) HSPB1HPDTDP1ATMMAPK14
SCHEMBL10789091 0.80 NPC1 (0.68) RAB9ARECQLNPC1ALDH1A1LMNA
SCHEMBL30069258 0.79 NPC1 (0.62) RAB9ARECQLNPC1HPDALDH1A1
SCHEMBL2548000 0.78 NPC1 (0.75) HSPB1RAB9ARECQLNPC1ALDH1A1
SCHEMBL1341961 0.76 HSPB1 (0.75) HSPB1RAB9ARECQLNPC1ALDH1A1
SCHEMBL8924125 0.76 ALDH1A1 (0.49) RAB9AALDH1A1LMNATDP1KMT2A
SCHEMBL29447092 0.75 MAPT (0.59) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL564270 0.75 MAPT (0.59) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL4337112 0.75 HSPB1 (0.58) HSPB1HPDLMNAIDO1AGXT
SCHEMBL27167067 0.75 POLB (0.57) HSPB1RAB9ARECQLNPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed