SCHEMBL25944686

SCHEMBL25944686

CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
THRB P10828 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 6/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.51
MAT2A P31153 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL25944688 0.87 KMT2A (0.57) MEN1KMT2ATHRBSMN1; SMN2MAPT
SCHEMBL25944690 0.86 ALDH1A1 (0.56) MEN1KMT2ATHRBSMN1; SMN2MAPT
SCHEMBL1719451 0.86 MEN1 (0.60) MEN1KMT2ATHRBSMN1; SMN2TP53
SCHEMBL2885250 0.84 MEN1 (0.74) MEN1KMT2ATHRBSMN1; SMN2TP53
SCHEMBL25946268 0.83 ALDH1A1 (0.63) KMT2ASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL16244880 0.82 ALDH1A1 (0.74) MEN1KMT2ATHRBSMN1; SMN2TP53
SCHEMBL25944689 0.81 ALDH1A1 (0.51) MEN1KMT2ATHRBSMN1; SMN2MAPT
SCHEMBL6315596 0.79 MEN1 (1.00) MEN1KMT2ATHRBSMN1; SMN2TP53
SCHEMBL30657206 0.79 MEN1 (1.00) MEN1KMT2ATHRBSMN1; SMN2TP53
SCHEMBL25944691 0.79 ALDH1A1 (0.49) MEN1KMT2ATHRBSMN1; SMN2MAPT

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