SCHEMBL8135673

SCHEMBL8135673

O=[N+]([O-])/C=C(/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
LMNA P02545 2/20 0.43
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX1 P51575 3/20 0.40
CXCR3 P49682 5/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 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
SCHEMBL8135675 1.00 EPHX2 (0.45) EPHX2LMNATBXA2RTBXAS1MEN1
SCHEMBL8142846 0.81 MEN1 (0.46) EPHX2LMNATBXA2RTBXAS1MEN1
SCHEMBL8142850 0.81 MEN1 (0.46) EPHX2LMNATBXA2RTBXAS1MEN1
SCHEMBL8127023 0.79 QPCTL (0.38) LMNAP2RX1TMPRSS4QPCTLMAPT
SCHEMBL8127022 0.79 QPCTL (0.38) LMNAP2RX1TMPRSS4QPCTLMAPT
SCHEMBL8129144 0.78 P2RX1 (0.39) LMNAMEN1KMT2AP2RX1CXCR3
SCHEMBL8129143 0.78 P2RX1 (0.39) LMNAMEN1KMT2AP2RX1CXCR3
SCHEMBL23736048 0.74 EPHX2 (0.75) EPHX2MEN1KMT2ASMN1; SMN2CXCR3
SCHEMBL18789617 0.74 EPHX2 (0.52) EPHX2LMNAMEN1KMT2AHTT
SCHEMBL5598039 0.74 EPHX2 (0.75) EPHX2MEN1KMT2ASMN1; SMN2CXCR3

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
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed