SCHEMBL31329329

SCHEMBL31329329

Nc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
PTGS1 P23219 5/20 0.60
SRD5A2 P31213 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
P2RX1 P51575 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
RAB9A P51151 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP2C8 P10632 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ESRRA P11474 1/20 0.46

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
SCHEMBL6094601 1.00 MAPT (0.65) MAPTGAAPTGS1SRD5A2CA1
SCHEMBL8374908 0.85 MAPT (0.87) MAPTGAACA1CA2CA9
SCHEMBL1173269 0.85 P2RX1 (0.61) MAPTGAAPTGS1CA1CA2
SCHEMBL28765131 0.82 PTGS1 (0.57) PTGS1SRD5A2CES2CES1HTT
SCHEMBL5347968 0.82 PTGS1 (0.59) MAPTGAAPTGS1SRD5A2P2RX1
SCHEMBL3486347 0.81 MAPT (0.61) MAPTGAAPTGS1SRD5A2P2RX1
SCHEMBL3542735 0.81 MAPT (0.67) MAPTPTGS1SRD5A2CES2CES1
SCHEMBL10396396 0.81 RECQL (0.53) MAPTPTGS1SRD5A2P2RX1CES2
SCHEMBL8362275 0.81 SRD5A2 (0.55) GAAPTGS1SRD5A2CES2CES1
SCHEMBL38533242 0.81 AKR1C3 (0.66) SRD5A2CA1CA2CA9CES2

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
EP-4461783-A1 ELECTROCHROMIC COMPOUNDS, COMPOSITIONS AND OPTICAL ARTICLES CONTAINING THEM Essilor International (FR) 2024-11-13 EP disclosed