SCHEMBL7745218

SCHEMBL7745218

CN(C)CCn1c(Cn2nc(Br)c3cc([N+](=O)[O-])ccc32)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ IRAK4 Q9NWZ3 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMARCA2 P51531 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CFTR P13569 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TBXA2R P21731 1/20 0.39

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
SCHEMBL7745481 0.77 CNR2 (0.50) MAPTKMT2AMEN1LMNACNR1
SCHEMBL7745480 0.74 TOP2A (0.47) MAPTKMT2AMEN1LMNAOPRM1
SCHEMBL7740578 0.73 TOP2A (0.46) MAPTHTTKMT2AMEN1LMNA
SCHEMBL7745467 0.73 TOP2A (0.49) MAPTKMT2AMEN1LMNAOPRM1
SCHEMBL7638112 0.73 MAPT (0.66) MAPTRXFP1HTTIRAK4KMT2A
SCHEMBL11833660 0.73 MAPT (0.70) MAPTRXFP1HTTKMT2AMEN1
SCHEMBL7745483 0.73 MAPT (0.47) MAPTKMT2AMEN1LMNACNR1
SCHEMBL26630273 0.71 MAPT (0.51) MAPTKMT2AMEN1LMNACNR1
SCHEMBL7746704 0.70 TOP2A (0.55) MAPTRXFP1HTTKMT2AMEN1
SCHEMBL24900462 0.70 MAPT (0.55) MAPTRXFP1HTTIRAK4KMT2A

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
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