SCHEMBL24292050

SCHEMBL24292050

C=Nc1ccc(Br)cc1NCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.36
▸ LMNA P02545 6/20 0.35
▸ MAPT P10636 6/20 0.35
▸ POLB P06746 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MCL1 Q07820 4/20 0.35
▸ HTT P42858 4/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX12 P18054 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL22791511 0.81 CYP3A4 (0.39) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL20931145 0.79 KDM4E (0.36) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL22791569 0.79 GAA (0.35) LMNAMAPTPOLBSMN1; SMN2MEN1
SCHEMBL1015921 0.73 RECQL (0.60) STAT3LMNAMAPTPOLBSMN1; SMN2
SCHEMBL19827908 0.73 IDO1 (0.40) LMNAMAPTPOLBSMN1; SMN2MEN1
SCHEMBL24290481 0.72 STAT3 (0.41) STAT3LMNAMAPTPOLBSMN1; SMN2
SCHEMBL13535931 0.72 MAPT (0.40) STAT3LMNAMAPTPOLBSMN1; SMN2
SCHEMBL24289562 0.72 STAT3 (0.41) STAT3LMNAMAPTPOLBSMN1; SMN2
SCHEMBL21861846 0.72 ALDH1A1 (0.43) STAT3LMNAMAPTPOLBSMN1; SMN2
SCHEMBL31708248 0.72 LMNA (0.49) STAT3LMNAMAPTPOLBSMN1; 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-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
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