SCHEMBL7745795

SCHEMBL7745795

O=C1/C(=N/OCCF)c2cccnc2N1Cc1nc2ccccc2n1CCCCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7745784 0.90 CYP3A4 (0.40) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL7745971 0.90 TP53 (0.34) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL7741673 0.89 CYP3A4 (0.43) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL7745448 0.89 TSHR (0.35) MEN1KMT2ASMN1; SMN2RAB9ATP53
SCHEMBL7745821 0.84 CYP3A4 (0.48) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL7745443 0.84 CYP3A4 (0.37) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL7746108 0.79 TSHR (0.33) MEN1KMT2ASMN1; SMN2RAB9ATP53
SCHEMBL7741368 0.78 RAB9A (0.43) MEN1KMT2ASMN1; SMN2RAB9ATP53
SCHEMBL7746216 0.77 MAPT (0.38) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL6499872 0.77 CNR2 (0.37)

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