SCHEMBL7745478

SCHEMBL7745478

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
PTK2B Q14289 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CXCR5 P32302 1/20 0.35
OPRM1 P35372 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL7745970 0.88 ALDH1A1 (0.39) GRM2TSHRALDH1A1KDM4ERAB9A
SCHEMBL8366756 0.87 ALDH1A1 (0.38) GRM2TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL7746299 0.86 TSHR (0.40) TSHRALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7745936 0.85 TSHR (0.41) TSHRALDH1A1RAB9ASMN1; SMN2PTK2B
SCHEMBL7746271 0.85 TSHR (0.45) TSHRALDH1A1RAB9ASMN1; SMN2PTK2B
SCHEMBL7741406 0.82 DRD2 (0.44) TSHRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7740965 0.82 TSHR (0.49) TSHRALDH1A1RAB9ASMN1; SMN2PTK2B
SCHEMBL7740984 0.81 TBXA2R (0.38) TSHRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7745784 0.78 CYP3A4 (0.40) TSHRALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7748043 0.77 CYP3A4 (0.42) TSHRALDH1A1KDM4ERAB9ASMN1; SMN2

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