SCHEMBL7746104

SCHEMBL7746104

N#CCCCn1c(CN2C(=O)/C(=N/OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3cccnc32)nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
PTK2B Q14289 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL7746216 0.88 MAPT (0.38) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7746108 0.86 TSHR (0.33) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7741271 0.85 SMN1; SMN2 (0.37) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7745971 0.85 TP53 (0.34) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7741649 0.85 RAB9A (0.40) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7741673 0.76 CYP3A4 (0.43) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7745784 0.75 CYP3A4 (0.40) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL8366756 0.74 ALDH1A1 (0.38) TSHRPOLBPTK2BSMN1; SMN2TP53
SCHEMBL7745795 0.74 MEN1 (0.43) TSHRPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL7745843 0.74 CYP3A4 (0.38) TSHRPTK2BSMN1; SMN2TP53ALDH1A1

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