SCHEMBL7745481

SCHEMBL7745481

CC(C)CCn1c(Cn2nc(Cl)c3cc([N+](=O)[O-])ccc32)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.50
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TBXA2R P21731 1/20 0.42
▸ CFTR P13569 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CXCR3 P49682 1/20 0.40

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
SCHEMBL7745218 0.77 MAPT (0.52) CNR2KMT2AMAPTACHEMEN1
SCHEMBL7745456 0.74 TSHR (0.61) TSHRMAPK1KMT2AMAPTMEN1
SCHEMBL7745460 0.74 TSHR (0.61) TSHRMAPK1KMT2AMAPTMEN1
SCHEMBL7745027 0.72 TSHR (0.58) TSHRMAPK1KMT2AMAPTMEN1
SCHEMBL7745229 0.72 TSHR (0.50) CNR2TSHRMAPK1KMT2AMAPT
SCHEMBL7745601 0.72 TSHR (0.68) TSHRMAPK1KMT2AMAPTMEN1
SCHEMBL22151047 0.71 CNR2 (0.58) CNR2KMT2AMAPTACHEMEN1
Hydrochloric Acid SCHEMBL5858859 0.71 TSHR (0.70) TSHRMAPK1KMT2AMAPTMEN1
SCHEMBL22151026 0.71 MAPT (0.52) CNR2KMT2AMAPTACHEMEN1
SCHEMBL5859138 0.70 TSHR (0.65) TSHRMAPK1KMT2AMAPTMEN1

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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