SCHEMBL7126776

SCHEMBL7126776

O=C(O)c1cc(Br)ccc1[AsH]C(=O)c1onc2ccc(S(=O)(=O)Nc3ccccc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 4/20 0.42
AVPR2 P30518 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
METAP2 P50579 2/20 0.38
ITGA1 P56199 1/20 0.38
BRD4 O60885 1/20 0.38
ALOX12 P18054 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37

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
SCHEMBL6918968 0.81 MEN1 (0.42) MEN1KMT2ATP53MAPT
SCHEMBL6834200 0.72 MEN1 (0.51) GPR27AVPR2MEN1KMT2AMETAP2
SCHEMBL6919399 0.71 METAP2 (0.60) GPR27AVPR2MEN1KMT2AMAPT
SCHEMBL6818410 0.70 GPR27 (0.48) GPR27AVPR2MEN1KMT2AMCL1
SCHEMBL6818370 0.67 METAP2 (0.44) MEN1KMT2AMAPTMETAP2
SCHEMBL7061066 0.66
SCHEMBL6819170 0.65 MEN1 (0.44) MEN1KMT2AMAPTMETAP2PKM
SCHEMBL25171022 0.65 ALDH1A1 (0.44) MEN1KMT2AMCL1TP53MAPT
SCHEMBL7124908 0.64 ABCG2 (0.38) MEN1KMT2A
SCHEMBL11584745 0.64 KMT2A (0.60) MEN1KMT2AMCL1TP53MAPT

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed