SCHEMBL24075465

SCHEMBL24075465

COCCCCCOc1ccc2cc(Br)ccc2c1C=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 1/20 0.49
KDM4E B2RXH2 7/20 0.48
KMT2A Q03164 1/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 7/20 0.39
RXFP1 Q9HBX9 3/20 0.39
NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL24075354 0.83 L3MBTL1 (0.44) L3MBTL1GAATDP1ERN1KDM4E
SCHEMBL30067006 0.81 ERN1 (0.59) L3MBTL1GAAERN1KDM4EKMT2A
SCHEMBL3008338 0.81 ERN1 (0.59) L3MBTL1GAAERN1KDM4EKMT2A
SCHEMBL28821423 0.79 ERN1 (0.41) L3MBTL1GAATDP1ERN1KDM4E
SCHEMBL28821420 0.79 ERN1 (0.41) L3MBTL1GAATDP1ERN1KDM4E
SCHEMBL25834578 0.78 LMNA (0.42) L3MBTL1KDM4EKMT2APOLBSMN1; SMN2
SCHEMBL24075355 0.78 POLB (0.46) L3MBTL1KDM4EKMT2APOLBSMN1; SMN2
SCHEMBL5755021 0.77 ERN1 (0.52) L3MBTL1GAAERN1KDM4EKMT2A
SCHEMBL5755022 0.75 ERN1 (0.54) L3MBTL1GAAERN1KDM4EKMT2A
SCHEMBL5755025 0.75 ERN1 (0.52) L3MBTL1GAAERN1KDM4EKMT2A

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-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 WO disclosed