SCHEMBL1718751

SCHEMBL1718751

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br)N1CCc2ccccc2C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 5/20 0.58
LMNA P02545 4/20 0.58
KDM4E B2RXH2 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
USP2 O75604 2/20 0.58
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 4/20 0.56
THRB P10828 2/20 0.56
HPGD P15428 4/20 0.53
HSD17B10 Q99714 3/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL1718008 0.90 USP2 (0.72) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1719074 0.87 USP2 (0.63) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1719378 0.86 USP2 (0.64) ALDH1A1LMNAKDM4ENPSR1USP2
SCHEMBL1718598 0.85 USP2 (0.79) ALDH1A1LMNAKDM4ENPSR1USP2
SCHEMBL1718333 0.83 USP2 (0.54) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3282802 0.81 RXFP1 (0.69) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL1718193 0.81 HPGD (0.75) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3060904 0.80 RXFP1 (0.67) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL3704786 0.80 RXFP1 (0.67) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL4203850 0.79 MEN1 (0.85) MEN1KMT2AALDH1A1LMNAKDM4E

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
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed