SCHEMBL30152889

SCHEMBL30152889

Nc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
CTSB P07858 1/20 0.41
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NPY1R P25929 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.38
GPR35 Q9HC97 1/20 0.38
PDE7A Q13946 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMS P04818 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL1161841 1.00 ALDH1A1 (0.43) ALDH1A1TDP1CTSBPMM2MPI
SCHEMBL3390153 0.84 TDP1 (0.52) ALDH1A1TDP1MEN1KMT2AUSP2
SCHEMBL9452627 0.84 ALDH1A1 (0.52) ALDH1A1TDP1CTSBPMM2MPI
SCHEMBL11551067 0.84 TDP1 (0.52) ALDH1A1TDP1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL5914596 0.82 TDP1 (0.50) ALDH1A1TDP1MEN1KMT2AUSP2
SCHEMBL399100 0.79 TDP1 (0.43) ALDH1A1TDP1MEN1KMT2AUSP2
SCHEMBL1249766 0.77 TSHR (0.59) ALDH1A1TDP1CTSBPMM2MPI
SCHEMBL1056952 0.77 TDP1 (0.45) ALDH1A1TDP1CTSBPMM2MPI
SCHEMBL17934 0.77 TSHR (0.59) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL16397274 0.75 PMM2 (0.47) ALDH1A1TDP1PMM2MPIMEN1

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-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed