SCHEMBL7746317

SCHEMBL7746317

COc1cc(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL6257573 0.90 TSHR (0.38) TSHRMAPK1ALDH1A1TDP1
SCHEMBL6246742 0.82 ALDH1A1 (0.44) SMN1; SMN2LMNAMAPK1ALDH1A1TDP1
SCHEMBL6243389 0.82 GNRHR (0.41) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL7741901 0.79 POLB (0.44) MEN1KMT2ASMN1; SMN2GAATP53
SCHEMBL6242389 0.75 GNRHR (0.39) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL7746367 0.75 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL7746499 0.74 MEN1 (0.42) MEN1KMT2ASMN1; SMN2GAATP53
SCHEMBL7746911 0.74 MEN1 (0.45) MEN1KMT2ASMN1; SMN2GAATP53
SCHEMBL7745921 0.73 MEN1 (0.41) MEN1KMT2ASMN1; SMN2TP53LMNA
SCHEMBL6480122 0.73 TSHR (0.41) MEN1KMT2AGAATP53LMNA

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