SCHEMBL9584151

SCHEMBL9584151

O=C(O)Cc1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
PLA2G2A P14555 2/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
TACR1 P25103 7/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
MAPT P10636 1/20 0.43
MAPK10 P53779 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLA2G1B P04054 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL9584177 0.93 MAPT (0.49) FOLH1PLA2G2AF10POLBMAPT
Hydrochloric Acid SCHEMBL9584113 0.92 MAPT (0.48) FOLH1PLA2G2AF10POLBMAPT
SCHEMBL9584600 0.91 PTGDR2 (0.50) FOLH1PLA2G2APOLBPTGDR2HDAC1
SCHEMBL9585090 0.88 CCR1 (0.47) FOLH1F10POLBMAPTMAPK10
SCHEMBL9584407 0.87 FOLH1 (0.52) FOLH1PLA2G2APOLBPTGDR2MAPT
SCHEMBL9585264 0.85 F10 (0.48) PLA2G2AF10POLBMAPTMAPK10
SCHEMBL9584118 0.84 MAPT (0.47) PLA2G2AF10POLBMAPTMAPK10
SCHEMBL9603261 0.83 EPHX2 (0.46) FOLH1PLA2G2APOLBPTGDR2MAPT
SCHEMBL9584250 0.83 AKR1C3 (0.51) PLA2G2APOLBPTGDR2MAPTMAPK10
SCHEMBL9585467 0.83 LMNA (0.45) PLA2G2AMAPTMAPK10HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245046-A α-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1993-09-14 US disclosed
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP disclosed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO disclosed