SCHEMBL8484185

SCHEMBL8484185

O=C([CH]c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
TNFRSF1A P19438 1/20 0.50
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
GRK2 P25098 1/20 0.41
JUN P05412 1/20 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
SCHEMBL6707524 0.93 LTA4H (0.58) LTA4HTNFRSF1ACYP1A1CYP1B1KMT2A
SCHEMBL7842474 0.86 TNFRSF1A (0.64) TNFRSF1ACYP1A1CYP1B1MAPTCES2
SCHEMBL11400165 0.82 TNFRSF1A (0.77) LTA4HTNFRSF1ACYP1A1CYP1B1MAPT
SCHEMBL2794365 0.81 TNFRSF1A (0.53) TNFRSF1ACYP1A1CYP1B1KMT2AMAPT
SCHEMBL7448677 0.77 TNFRSF1A (0.53) TNFRSF1ACYP1B1KMT2AMAPTMEN1
SCHEMBL4618020 0.74 LTA4H (1.00) LTA4HKMT2AMAPTMEN1TAAR1
SCHEMBL3053668 0.74 LTA4H (0.76) LTA4HKMT2AMEN1TAAR1CES2
SCHEMBL6934618 0.74 ALDH1A1 (0.67) LTA4HKMT2AMEN1TAAR1CYP1A2
SCHEMBL6934616 0.74 ALDH1A1 (0.67) LTA4HKMT2AMEN1TAAR1CYP1A2
SCHEMBL14064486 0.73 LTA4H (0.51) LTA4HKMT2AMAPTMEN1TAAR1

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-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed