SCHEMBL7745632

SCHEMBL7745632

CC1(C)Sc2ccccc2N(Cc2nc3ccccc3n2CCCCF)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7741461 0.81 TSHR (0.48) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7746506 0.80 MEN1 (0.39) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7746349 0.80 L3MBTL1 (0.41) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7745584 0.75 TSHR (0.42) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL6480793 0.75 CES1 (0.45) L3MBTL1MEN1USP2KMT2AALDH1A1
SCHEMBL6481692 0.74 KMT2A (0.45) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7746306 0.73 MEN1 (0.42) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7741873 0.72 MEN1 (0.41) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7746316 0.71 MEN1 (0.42) POLBL3MBTL1MEN1USP2KMT2A
SCHEMBL7745587 0.71 TSHR (0.40) POLBL3MBTL1MEN1USP2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed