SCHEMBL7745936

SCHEMBL7745936

COCCCn1c(CN2C(=O)/C(=N/OCc3ccncc3)c3ccccc32)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
RAB9A P51151 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PTK2B Q14289 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 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
SCHEMBL7741406 0.88 DRD2 (0.44) TSHRRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7740984 0.87 TBXA2R (0.38) TSHRRAB9AL3MBTL1MAPTTP53
SCHEMBL7745478 0.85 GRM2 (0.41) TSHRRAB9AL3MBTL1MAPTTP53
SCHEMBL7746299 0.84 TSHR (0.40) TSHRRAB9AMAPTTP53NPC1
SCHEMBL7746271 0.83 TSHR (0.45) TSHRRAB9AL3MBTL1TP53NPC1
SCHEMBL7745732 0.81 TSHR (0.46) TSHRL3MBTL1MAPTTP53KMT2A
SCHEMBL7740965 0.80 TSHR (0.49) TSHRRAB9AL3MBTL1TP53NPC1
SCHEMBL7745634 0.79 ALDH1A1 (0.37) TSHRMAPTKMT2ASMN1; SMN2PTK2B
SCHEMBL7741370 0.79 TSHR (0.43) TSHRRAB9AMAPTKMT2AALDH1A1
SCHEMBL7745254 0.78 TSHR (0.41) TSHRMAPTKMT2AALDH1A1LMNA

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