SCHEMBL8795017

SCHEMBL8795017

FC(F)(F)c1cc(NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.48
XPO1 O14980 2/20 0.45
GPR35 Q9HC97 1/20 0.45
IDO1 P14902 2/20 0.44
CES2 O00748 1/20 0.44
P2RX1 P51575 5/20 0.44
LMNA P02545 1/20 0.44
ACP1 P24666 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.41
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TACR1 P25103 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
SCHEMBL394467 0.82 RAPGEF4 (0.59) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL440959 0.80 CES2 (0.58) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL330354 0.78 MAPT (0.55) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL998165 0.78 IDO1 (0.46) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL16628066 0.78 MAPT (0.50) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL16274236 0.78 MAPT (0.45) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL2094730 0.78 MAPT (0.45) MAPTRAPGEF4XPO1GPR35IDO1
Hydrochloric Acid SCHEMBL999258 0.76 IDO1 (0.48) MAPTRAPGEF4XPO1GPR35IDO1
SCHEMBL7685858 0.76 MAPT (0.44) MAPTRAPGEF4XPO1GPR35IDO1
Hydrochloric Acid SCHEMBL1968509 0.76 MAPT (0.53) MAPTRAPGEF4XPO1GPR35IDO1

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-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed