SCHEMBL7745587

SCHEMBL7745587

O=C1/C(=C(\O)C(F)(F)F)c2ccccc2N1Cc1nc2ccccc2n1CCCCF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PTK2B Q14289 1/20 0.40
TP53 P04637 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6480793 0.84 CES1 (0.45) TSHRPTK2BKMT2AMEN1ALDH1A1
SCHEMBL7745584 0.80 TSHR (0.42) TSHRPTK2BTP53KMT2AMEN1
SCHEMBL7741427 0.77 MEN1 (0.40) TSHRPTK2BKMT2AMEN1ALDH1A1
SCHEMBL7740991 0.77 ALDH1A1 (0.49) TSHRPTK2BKMT2AMEN1ALDH1A1
SCHEMBL7741461 0.73 TSHR (0.48) TSHRKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL6481692 0.73 KMT2A (0.45) TSHRKMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL7741750 0.72 CYP3A4 (0.44) TSHRPTK2BTP53KMT2AMEN1
SCHEMBL7745632 0.71 POLB (0.39) TSHRTP53KMT2AMEN1ALDH1A1
SCHEMBL7746506 0.71 MEN1 (0.39) TSHRPTK2BTP53KMT2AMEN1
SCHEMBL7745897 0.70 RAB9A (0.46) TSHRPTK2BTP53KMT2AMEN1

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