SCHEMBL8102983

SCHEMBL8102983

OCCNc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
XBP1 P17861 1/20 0.51
LMNA P02545 1/20 0.51
IDO1 P14902 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IDH2 P48735 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
TP53 P04637 1/20 0.49
BRAF P15056 1/20 0.48

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
SCHEMBL11116075 0.89 MAPT (0.50) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL11114461 0.85 MAPT (0.51) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL14065406 0.84 HRH3 (0.54) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL5158409 0.82 MAPT (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10738876 0.81 YAP1 (0.51) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL20714773 0.81 MAPT (0.49) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL15203805 0.81 TAAR1 (0.53) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL6232265 0.81 LMNA (0.63) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL8098748 0.81 MAPT (0.49) MAPTGAANPSR1ALDH1A1TDP1
SCHEMBL1972751 0.80 P2RX1 (0.46) MAPTLMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed
US-4699910-A N-(3-trifluoromethyl-phenyl)-N'-propargyl-piperazine and salts thereof useful as analgesics BOEHRINGER INGELHEIM KG (DE) 1987-10-13 US disclosed
EP-0117531-B1 N-(3-TRIFLUOROMETHYL PHENYL)-N'-PROPARGYL PIPERAZINE, METHOD FOR ITS PREPARATION AND ITS USE BOEHRINGER INGELHEIM KG (DE) 1986-09-17 EP disclosed
EP-0117531-A1 N-(3-trifluoromethyl phenyl)-N'-propargyl piperazine, method for its preparation and its use BOEHRINGER INGELHEIM KG (DE) 1984-09-05 EP disclosed