SCHEMBL31364796

SCHEMBL31364796

C[C@@H](Nc1cc(Br)cnc1N)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
MET P08581 1/20 0.40
NTRK1 P04629 1/20 0.37
P2RX3 P56373 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
IDH1 O75874 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 2/20 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
SCHEMBL31364870 0.82 TP53 (0.43) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31364959 0.81 TP53 (0.45) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31365037 0.81 TP53 (0.45) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31364909 0.81 MEN1 (0.41) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31365025 0.79 TP53 (0.43) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31364949 0.78 LMNA (0.45) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31364893 0.78 TP53 (0.42) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31364831 0.76 TP53 (0.40) KMT2AMEN1TP53MAPTHPGD
SCHEMBL31365057 0.76 LMNA (0.45) KMT2AMEN1TP53MAPTHPGD
SCHEMBL15063651 0.75 S1PR3 (0.42) KMT2AMEN1TP53MAPTHPGD

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
WO-2025056065-A1 CHEMOKINE RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION, AND USE 上海医药集团股份有限公司 2025-03-20 WO disclosed
CN-119638669-A Chemokine receptor antagonist, pharmaceutical composition and application 上海医药集团股份有限公司 2025-03-18 CN disclosed