SCHEMBL7746299

SCHEMBL7746299

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
PTK2B Q14289 1/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 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
SCHEMBL7745967 0.88 ALDH1A1 (0.39) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL8363973 0.88 ALDH1A1 (0.38) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL7746271 0.86 TSHR (0.45) TSHRALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7745478 0.86 GRM2 (0.41) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL7745936 0.84 TSHR (0.41) TSHRALDH1A1MAPTLMNAPOLB
SCHEMBL7741406 0.84 DRD2 (0.44) TSHRALDH1A1MAPTLMNAPOLB
SCHEMBL7740984 0.83 TBXA2R (0.38) TSHRALDH1A1MAPTLMNAPOLB
SCHEMBL7740965 0.81 TSHR (0.49) TSHRALDH1A1SMN1; SMN2PTK2BKMT2A
SCHEMBL7740725 0.80 TSHR (0.45) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL7748043 0.76 CYP3A4 (0.42) TSHRALDH1A1MAPTLMNAKDM4E

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