SCHEMBL7873623

SCHEMBL7873623

Cc1cnc(-n2ccc(C(F)(F)F)n2)nc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPT P10636 2/20 0.41
PPP1CA P62136 1/20 0.41
LMNA P02545 1/20 0.41
F10 P00742 1/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
P2RY1 P47900 3/20 0.39
RECQL P46063 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ADORA2A P29274 1/20 0.38
SLC6A2 P23975 1/20 0.37

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
SCHEMBL7881269 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL8015522 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL25315424 0.84 TNK2 (0.37) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL30465898 0.84 TNK2 (0.37) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5551399 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL7876395 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL7881244 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL7877675 0.81 GABRA1 (0.37) MAPT
SCHEMBL6723685 0.80 PRMT6 (0.37) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL7884211 0.79 MAPT (0.43) ALDH1A1KDM4ENPSR1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172005-B1 CONTROLLING UNDESIRABLE VEGETATION E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-09 US claimed
EP-0970072-A1 HETEROARYL AZOLE HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-01-12 EP claimed
WO-1998040379-A1 HETEROARYL AZOLE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-17 WO claimed
US-6306977-B1 SOLID PHASE SYNTHESIS E. I. DU PONT DE NEMOURS AND COMPANY 2001-10-23 US disclosed
US-6172005-B1 CONTROLLING UNDESIRABLE VEGETATION E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-09 US disclosed