SCHEMBL29611537

SCHEMBL29611537

O=[N+]([O-])c1ccc(Oc2ccc(F)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.64
LMNA P02545 4/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
MYOC Q99972 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SRD5A2 P31213 1/20 0.46
LTA4H P09960 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL16345403 1.00 HSPB1 (0.64) HSPB1LMNARAB9AHTTMAPT
SCHEMBL12872523 0.80 HSPB1 (0.54) HSPB1LMNARAB9AHTTMAPT
SCHEMBL11478740 0.80 HSPB1 (0.54) HSPB1LMNARAB9AHTTMAPT
SCHEMBL177869 0.80 HTT (0.58) HSPB1LMNARAB9AHTTMAPT
SCHEMBL5565238 0.80 HSPB1 (0.49) HSPB1LMNAHTTMAPTMEN1
SCHEMBL5571120 0.80 PDE7A (0.61) HSPB1LMNARAB9AMAPTMEN1
SCHEMBL30929726 0.80 HSPB1 (0.49) HSPB1LMNAHTTMAPTMEN1
SCHEMBL1163154 0.80 KMT2A (0.53) HSPB1LMNARAB9AMAPTMEN1
SCHEMBL29696525 0.80 KMT2A (0.53) HSPB1LMNARAB9AMAPTMEN1
SCHEMBL11689190 0.80 HSPB1 (0.79) HSPB1LMNARAB9AHTTMAPT

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
CN-108440515-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2022-05-03 CN disclosed