SCHEMBL30376409

SCHEMBL30376409

COc1cc(C#N)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.51
ALK Q9UM73 1/20 0.46
CYP11B2 P19099 2/20 0.43
EGLN2 Q96KS0 1/20 0.43
CYP11B1 P15538 1/20 0.43
KDM1A O60341 2/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESRRA P11474 1/20 0.40
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGDS O60760 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL364484 1.00 AR (0.51) ARALKCYP11B2EGLN2CYP11B1
SCHEMBL27439951 0.85 KIT (0.46) ARALKKDM1AMAPTALDH1A1
SCHEMBL30870706 0.85 KIT (0.46) ARALKKDM1AMAPTALDH1A1
SCHEMBL708391 0.84 AR (0.51) ARALKEGLN2KDM1APOLB
SCHEMBL30118209 0.84 AR (0.51) ARALKEGLN2KDM1APOLB
SCHEMBL5472622 0.83 AR (0.53) ARALKCYP11B2CYP11B1MAPT
SCHEMBL31355171 0.82 CYP11B1 (0.44) ARALKCYP11B2EGLN2CYP11B1
SCHEMBL2888669 0.81 ALDH1A1 (0.45) ARALKKDM1AMAPTPOLB
SCHEMBL509522 0.81 AR (0.66) ARCYP11B2EGLN2CYP11B1KDM1A
SCHEMBL29490258 0.81 AR (0.66) ARCYP11B2EGLN2CYP11B1KDM1A

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-2023011596-A1 AMIDE COMPOUND AND USE THEREOF 中国药科大学 2023-02-09 WO disclosed