SCHEMBL7745784

SCHEMBL7745784

O=C1/C(=N/OCC(F)(F)F)c2cccnc2N1Cc1nc2ccccc2n1CCCCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
PTK2B Q14289 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7745795 0.90 MEN1 (0.43) CYP3A4MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7746108 0.89 TSHR (0.33) MEN1KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL7741673 0.88 CYP3A4 (0.43) CYP3A4MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7745443 0.83 CYP3A4 (0.37) CYP3A4MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7745971 0.80 TP53 (0.34) CYP3A4MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7745448 0.79 TSHR (0.35) MEN1KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL7745970 0.78 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL7745478 0.78 GRM2 (0.41) MEN1KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL8366756 0.77 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL7746216 0.76 MAPT (0.38) CYP3A4MEN1KMT2ASMN1; SMN2TP53

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