SCHEMBL30542166

SCHEMBL30542166

Cc1ccc(Br)cc1NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 8/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
RAPGEF4 Q8WZA2 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
SCHEMBL24446513 1.00 SIGMAR1 (0.40) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL21395906 0.82 SIGMAR1 (0.51) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL12375437 0.79 SIGMAR1 (0.37) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
Hydrochloric Acid SCHEMBL31571419 0.77 SIGMAR1 (0.36) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL18987023 0.77 SIGMAR1 (0.39) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL9228608 0.77 ALDH1A1 (0.41) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL22749629 0.77 ALDH1A1 (0.51) ALDH1A1NPSR1KDM4ELMNAMEN1
SCHEMBL10882869 0.76 GAA (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL838238 0.76 SIGMAR1 (0.38) SIGMAR1ALDH1A1NPSR1KDM4ELMNA
SCHEMBL4808346 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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
CN-116606318-B Preparation method of phosphamide derivative 安阳师范学院 2025-05-27 CN disclosed
CN-116606318-A Preparation method of phosphamide derivative 安阳师范学院 2023-08-18 CN disclosed