SCHEMBL25944378

SCHEMBL25944378

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM1A O60341 1/20 0.42
SMAD3 P84022 2/20 0.42
APAF1 O14727 1/20 0.42
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
ELANE P08246 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
TSHR P16473 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
SCHEMBL25944381 0.89 ATM (0.46) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25944377 0.86 ATM (0.61) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL29429161 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM1ASMAD3APAF1
SCHEMBL25944380 0.84 ATM (0.41) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25944383 0.81 AAK1 (0.39) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25944688 0.79 KMT2A (0.57) ATMSMN1; SMN2ALDH1A1LMNAELANE
SCHEMBL26613924 0.77 LMNA (0.47) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL30633775 0.77 LMNA (0.47) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3
SCHEMBL25942452 0.77 KDM1A (0.57) SMN1; SMN2ALDH1A1KDM1ASMAD3APAF1
SCHEMBL30633732 0.76 LMNA (0.46) ATMSMN1; SMN2ALDH1A1KDM1ASMAD3

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