SCHEMBL7741370

SCHEMBL7741370

CC(C)CCn1c(CN2C(=O)/C(=N/OCc3ccc(Br)cc3)c3ccccc32)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALOX5AP P20292 1/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37

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
SCHEMBL7745732 0.93 TSHR (0.46) TSHRMAPK1LMNANPSR1MEN1
SCHEMBL7745810 0.90 AGTR1 (0.42) TSHRMAPK1LMNANPSR1ALDH1A1
SCHEMBL7745254 0.89 TSHR (0.41) TSHRMAPK1LMNANPSR1KMT2A
SCHEMBL7740752 0.88 DRD2 (0.44) TSHRMAPK1LMNARAB9AALDH1A1
SCHEMBL7745239 0.87 TSHR (0.41) TSHRMAPK1LMNANPSR1KMT2A
SCHEMBL7745243 0.86 TSHR (0.40) TSHRMAPK1LMNAKMT2AALDH1A1
SCHEMBL7741297 0.85 TSHR (0.50) TSHRMAPK1LMNANPSR1MEN1
SCHEMBL7740725 0.84 TSHR (0.45) TSHRMAPK1LMNANPSR1MEN1
SCHEMBL7745214 0.83 TSHR (0.47) TSHRMAPK1LMNANPSR1MEN1
SCHEMBL7745839 0.81 TSHR (0.52) TSHRMAPK1LMNANPSR1MEN1

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 1 patent. 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