SCHEMBL7663247

SCHEMBL7663247

O=C(NCc1cccnc1)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.64
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.58
FES P07332 1/20 0.57
RET P07949 1/20 0.57
MARK3 P27448 1/20 0.57
TYK2 P29597 1/20 0.57
FLT4 P35916 1/20 0.57
SYK P43405 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
GAA P10253 2/20 0.57
USP2 O75604 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7756436 0.84 RECQL (0.64) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL29460250 0.81 FES (0.81) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL9130703 0.81 FES (0.81) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL29912975 0.80 RIPK1 (0.68) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL17882320 0.80 RIPK1 (0.68) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL9331928 0.80 MAPT (0.59) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL9331917 0.80 MAPT (0.59) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL3614049 0.80 NAMPT (0.56) MAPTALDH1A1GAACYP3A4LMNA
SCHEMBL10403403 0.80 RECQL (0.72) RECQLNPSR1MAPTALDH1A1FES
SCHEMBL2424556 0.80 RECQL (0.72) RECQLNPSR1MAPTALDH1A1FES

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-6413995-B1 IMMUNOMODULATORS TSUMURA & CO. (JP) 2002-07-02 US disclosed
EP-1142875-A1 CINNAMAMIDE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME TSUMURA & CO. (JP) 2001-10-10 EP disclosed