SCHEMBL29920545

SCHEMBL29920545

CCOc1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACP1 P24666 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL20523662 1.00 CHRNB4 (0.54) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL6016562 0.87 MAPT (0.59) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL11055090 0.87 MAPT (0.59) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL26454103 0.86 CHRNB4 (0.49) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL14094967 0.85 CHRNB4 (0.51) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL30935091 0.82 CHRNB4 (0.54) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL16116282 0.81 CHRNB4 (0.50) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL16958006 0.81 TSHR (0.59) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL282545 0.80 LMNA (0.49) CHRNB4CHRNA3MAPTMEN1KMT2A
SCHEMBL29920077 0.80 LMNA (0.49) CHRNB4CHRNA3MAPTMEN1KMT2A

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
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 EP disclosed
WO-2022217276-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-10-13 WO disclosed