SCHEMBL8976739

SCHEMBL8976739

O=C1c2ccccc2C(=O)N1OCC=CC=Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
NFE2L2 Q16236 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL8976734 1.00 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL8973593 0.80 GAA (0.50) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL8973595 0.80 GAA (0.50) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL9673487 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9673492 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8744380 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8744384 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10791501 0.71 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL10791508 0.71 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL10423124 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAATM

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-5508412-A USED IN FORMATION OF UNSATURATED CYCLOHEXENONE OXIME ETHERS; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5407896-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
US-5403812-A Also containing a sulfur-containing ring; control of grasses but selective of broad-leaved and monocotyledonous crops BASF AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed