SCHEMBL7745707

SCHEMBL7745707

COCCCNc1cc(F)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HTR2A P28223 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
NCF1 P14598 1/20 0.37
USP2 O75604 1/20 0.37
HDAC2 Q92769 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
SCHEMBL2217492 0.95 PTGER4 (0.43) PTGER4ALDH1A1GAAHPGDALOX12
SCHEMBL31122067 0.90 PTGER4 (0.49) PTGER4ALDH1A1GAAHPGDALOX12
SCHEMBL17845272 0.90 PTGER4 (0.49) PTGER4ALDH1A1GAAHPGDALOX12
SCHEMBL2218748 0.83 PTGER4 (0.52) PTGER4ALDH1A1GAAHPGDALOX12
SCHEMBL763898 0.83 PTGER4 (0.48) PTGER4ALDH1A1GAAHDAC1HDAC3
SCHEMBL8317776 0.83 PTGER4 (0.51) PTGER4ALDH1A1HPGDHDAC1HDAC3
SCHEMBL742145 0.81 PTGER4 (0.47) PTGER4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3775668 0.81 PTGER4 (0.47) PTGER4ALDH1A1HPGDHDAC1HSD17B10
SCHEMBL8316862 0.81 PTGER4 (0.47) PTGER4ALDH1A1GAAHPGDHSD17B10
SCHEMBL3631150 0.78 ALDH1A1 (0.42) ALDH1A1HDAC1HDAC3HDAC2

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