SCHEMBL25948631

SCHEMBL25948631

CCOC(=O)c1c(CNC)n(C)c2cc(Br)ccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.52
P4HB P07237 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
TSHR P16473 1/20 0.44
ALOX5 P09917 6/20 0.44
KDM1A O60341 1/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
SMAD3 P84022 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 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
SCHEMBL29429161 0.86 ALDH1A1 (0.49) RAD52P4HBMAPTALDH1A1SMN1; SMN2
SCHEMBL25942452 0.86 KDM1A (0.57) RAD52ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL25938505 0.85 RAD52 (0.48) RAD52P4HBMAPTALDH1A1SMN1; SMN2
SCHEMBL25942412 0.85 TSHR (0.48) RAD52MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL25943586 0.84 RAD52 (0.46) RAD52P4HBMAPTALDH1A1SMN1; SMN2
SCHEMBL25948641 0.83 KDM4E (0.57) RAD52ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL13953916 0.82 RAD52 (0.70) RAD52P4HBMAPTALDH1A1KMT2A
SCHEMBL25946268 0.82 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2KMT2AKDM1A
SCHEMBL25948664 0.81 RAD52 (0.50) RAD52P4HBMAPTALDH1A1SMN1; SMN2
SCHEMBL25949424 0.80 RAD52 (0.43) RAD52P4HBMAPTALDH1A1KMT2A

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed