SCHEMBL9869407

SCHEMBL9869407

O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GPR35 Q9HC97 1/20 0.41
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.36
RORC P51449 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
LMNA P02545 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
SCHEMBL10363688 0.92 GPR35 (0.47) ADRA2AADRA2BADRA2CALDH1A1GPR35
SCHEMBL10363559 0.87 VCAM1 (0.44) ADRA2AADRA2BADRA2CALDH1A1GPR35
SCHEMBL10383485 0.82 MAPT (0.56) ADRA2AALDH1A1RAB9AMAPTKMT2A
SCHEMBL9869841 0.82 TSHR (0.37) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL9871280 0.82 MAPT (0.56) ADRA2AALDH1A1RAB9AMAPTKMT2A
SCHEMBL10362934 0.81 HTT (0.41) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL10363025 0.80 HTT (0.44) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL9868953 0.79 PDK1 (0.56) ALDH1A1RAB9AMAPTKMT2AMEN1
SCHEMBL10363610 0.78 HTT (0.39) ALDH1A1GPR35RAB9AMAPTKMT2A
SCHEMBL10363792 0.78 HTT (0.39) ADRA2AADRA2BADRA2CRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US disclosed
EP-0201193-B1 CARBOXANILIDES AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-10-24 EP disclosed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP disclosed
EP-0201193-A2 Carboxanilides AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-11-12 EP disclosed