SCHEMBL24075355

SCHEMBL24075355

COCCCCCOc1ccc2cc(Br)ccc2c1CO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 5/20 0.44
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NCEH1 Q6PIU2 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL24075353 0.83 RXFP1 (0.42) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL5751385 0.82 POLB (0.64) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL25834578 0.79 LMNA (0.42) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL28821312 0.79 RXFP1 (0.43) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL28821310 0.79 RXFP1 (0.43) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL24075465 0.78 L3MBTL1 (0.50) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL7817956 0.77 POLB (0.59) POLBRXFP1LMNASMN1; SMN2KMT2A
SCHEMBL24075380 0.77 LMNA (0.48) POLBRXFP1LMNASMN1; SMN2KDM4E
SCHEMBL31028296 0.74 AAK1 (0.47) POLBRXFP1LMNASMN1; SMN2KDM4E
SCHEMBL21043305 0.73 KDM4E (0.44) LMNASMN1; SMN2KMT2AMEN1KDM4E

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