SCHEMBL18520684

SCHEMBL18520684

Cc1cc2nc(S)cc(-c3ccccc3Cl)c2c(C)c1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.37
▸ PDE2A O00408 3/20 0.37
▸ PDE10A Q9Y233 3/20 0.37
▸ HSD11B1 P28845 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ GUSB P08236 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL18520683 0.85 KMT2A (0.39) KMT2APOLBPLA2G7PDE2APDE10A
SCHEMBL18520686 0.79 BRAF (0.36) KMT2APOLBPLA2G7PDE2APDE10A
SCHEMBL18520727 0.77 PDE2A (0.43) KMT2APOLBPDE2APDE10ASMN1; SMN2
SCHEMBL18520288 0.68 ALDH1A1 (0.40) KMT2APOLBPLA2G7PDE2APDE10A
SCHEMBL18520594 0.68 ALDH1A1 (0.40) KMT2APOLBPLA2G7PDE2APDE10A
SCHEMBL18520289 0.67 CCNB2 (0.42) KMT2APOLBPLA2G7PDE2APDE10A
SCHEMBL18520287 0.66 BACE1 (0.40) KMT2APOLBPLA2G7PDE2APDE10A
SCHEMBL18520513 0.65 ALDH1A1 (0.38) KMT2APDE2APDE10ASMN1; SMN2LMNA
SCHEMBL18520750 0.63 CHEK1 (0.43) KMT2ASMN1; SMN2GSK3BGAA
SCHEMBL29294775 0.62 PLA2G7 (0.64) KMT2APOLBPLA2G7HSD11B1SMN1; SMN2

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-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 — — WO disclosed
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