SCHEMBL9317080

SCHEMBL9317080

O=C([O-])c1ccc(Br)cc1.O=C([O-])c1ccc(Br)cc1.S=C(Nc1ccccc1)c1ccccc1.[Pb+2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
EPHX1 P07099 2/20 0.51
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA4 P22748 1/20 0.46

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
SCHEMBL9316926 0.97 MEN1 (0.55) MEN1KMT2AHPGDLMNAALOX12
Benzoic Acid SCHEMBL9317253 0.91 NPC1 (0.56) MEN1KMT2AHPGDLMNAALOX12
SCHEMBL28468955 0.86 MEN1 (0.66) MEN1KMT2AHPGDLMNAALOX12
4-Chloro-Benzoic Acid SCHEMBL9317100 0.85 CA2 (0.53) MEN1KMT2AHPGDLMNAALOX12
SCHEMBL9317075 0.85 ALDH1A1 (0.58) MEN1KMT2AHPGDLMNAALOX12
SCHEMBL9470151 0.85 ALDH1A1 (0.67) MEN1KMT2AHPGDLMNAALOX12
SCHEMBL9316922 0.85 ALDH1A1 (0.58) MEN1KMT2AHPGDLMNAALOX12
4-Chloro-Benzoic Acid SCHEMBL9317412 0.82 CA2 (0.53) MEN1KMT2AHPGDLMNAALOX12
4-Nitrobenzoic Acid SCHEMBL9318423 0.82 MEN1 (0.57) MEN1KMT2AHPGDLMNAALOX12
Acetic Acid SCHEMBL9317240 0.81 NPC1 (0.61) MEN1KMT2AHPGDLMNAALOX12

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
US-5354514-A Heating mixture of thioamide compound and copper- or lead-containing compound JUJO PAPER CO., LTD. (JP) 1994-10-11 US disclosed