SCHEMBL7765236

SCHEMBL7765236

C=CCn1c(SCC(F)C(F)F)n[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 2/20 0.32
APOBEC3A P31941 1/20 0.32
MCL1 Q07820 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL7763885 0.78 ALDH1A1 (0.44) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL9413995 0.74 ALDH1A1 (0.48) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL7546639 0.72 APOBEC3G (0.39) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL7763858 0.69 CYP3A4 (0.45) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL5391863 0.67 CYP3A4 (0.46) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL8632250 0.66 ALDH1A1 (0.49) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL5391867 0.65 CYP3A4 (0.45) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL3584589 0.63 ADORA2B (0.42) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL21853415 0.63 CYP3A4 (0.42) ALDH1A1TDP1RAB9ANPC1S1PR4
SCHEMBL7761102 0.62 LMNA (0.36) ALDH1A1TDP1RAB9AMAPTHTT

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
EP-0869948-B1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AG (DE) 2001-06-13 EP disclosed
US-6153761-A AN INTERMEDIATES FOR PREPARING HERBICIDES AND/OR FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-28 US disclosed
US-5994273-A AGRICULTURE BAYER AKTIWNGESELLSCHAFT (DE) 1999-11-30 US disclosed
EP-0869948-A1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AG (DE) 1998-10-14 EP disclosed
WO-1996027591-A1 HERBICIDAL OR FUNGICIDAL SULPHONYLAMINOCARBONYLTRIAZOLINONES WITH HALOGENATED ALK(EN)YLTHIO SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-12 WO disclosed