SCHEMBL7745483

SCHEMBL7745483

O=[N+]([O-])c1ccc2c(c1)c(Br)nn2Cc1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ KCNJ1 P48048 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ACHE P22303 3/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ THRB P10828 1/20 0.43

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
SCHEMBL26630273 0.73 MAPT (0.51) MAPTRAB9ALMNAACHECNR2
SCHEMBL7745218 0.73 MAPT (0.52) MAPTLMNAACHECNR2CNR1
SCHEMBL28483269 0.70 CNR2 (0.42) MAPTLMNAACHECNR2CNR1
SCHEMBL30695536 0.70 CNR2 (0.42) MAPTLMNAACHECNR2CNR1
SCHEMBL7745128 0.69 EGLN3 (0.48) NPC1TDP1RAB9ALMNAMEN1
SCHEMBL7745534 0.69 EGLN3 (0.48) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL22151023 0.69 CNR2 (0.43) MAPTLMNAACHECNR2CNR1
SCHEMBL2537529 0.69 RIPK1 (0.60) MAPTALDH1A1KDM4ENPC1TDP1
SCHEMBL28642046 0.68 RIPK1 (0.71) MAPTALDH1A1KDM4ENPC1TDP1
SCHEMBL29822933 0.68 RIPK1 (0.71) MAPTALDH1A1KDM4ENPC1TDP1

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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