SCHEMBL30901339

SCHEMBL30901339

BrCc1ccc(Br)c2nccnc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL21979136 1.00 MAPK1 (0.33) MAPK1MEN1APAF1TDP2ALDH1A1
SCHEMBL1126077 0.81 MAPK1 (0.44) MAPK1MEN1APAF1TDP2ALDH1A1
SCHEMBL30439125 0.81 MAPK1 (0.44) MAPK1MEN1APAF1TDP2ALDH1A1
SCHEMBL17275111 0.79 MEN1 (0.31) MEN1APAF1TDP2ALDH1A1MAPT
SCHEMBL30901310 0.76 KMT2A (0.56) MEN1APAF1TDP2ALDH1A1MAPT
SCHEMBL21955324 0.76 KDM4E (0.47) MEN1APAF1TDP2ALDH1A1MAPT
SCHEMBL21979163 0.76 KMT2A (0.56) MEN1APAF1TDP2ALDH1A1MAPT
SCHEMBL30901343 0.75 AXL (0.31)
SCHEMBL21979028 0.75 AXL (0.31)
SCHEMBL17275116 0.74 CCR1 (0.38)

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
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed