SCHEMBL8530529

SCHEMBL8530529

O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 2/20 0.46
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RBP4 P02753 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC2 Q92769 2/20 0.41

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
SCHEMBL30986014 0.86 KMT2A (0.68) MEN1KMT2AALDH1A1PKMTAS1R3
SCHEMBL653099 0.83 TAS1R3 (0.62) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL30965826 0.83 TAS1R3 (0.62) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL1941786 0.82 MEN1 (0.74) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL30691929 0.77 GPR183 (0.50)
SCHEMBL937498 0.77 GPR183 (0.50)
SCHEMBL14014948 0.76 RAB9A (0.52) MEN1KMT2APOLBUSP2KDM4E
SCHEMBL2054569 0.74 KMT2A (0.71) KMT2APOLBCYP2C19ALDH1A1USP2
SCHEMBL938535 0.74 HCRTR1 (0.50)
SCHEMBL16178811 0.73 XIAP (0.44) MEN1KMT2APOLBALDH1A1USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed