SCHEMBL9064699

SCHEMBL9064699

CCCCOC(=O)/N=C1\SCCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CACNA1B Q00975 2/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 6/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
APP P05067 1/20 0.38
ADORA1 P30542 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
FAAH O00519 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL9064703 1.00 ALDH1A1 (0.41) ALDH1A1CACNA1BPOLBHTR2ACYP2D6
SCHEMBL9064591 0.90 ALDH1A1 (0.48) ALDH1A1POLBCYP2D6TSHRLMNA
SCHEMBL9064588 0.90 ALDH1A1 (0.48) ALDH1A1POLBCYP2D6TSHRLMNA
SCHEMBL9065120 0.72 ALDH1A1 (0.45) ALDH1A1POLBLMNAMAPK1RAB9A
SCHEMBL9064735 0.72 ALDH1A1 (0.45) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL9065078 0.72 ALDH1A1 (0.45) ALDH1A1POLBLMNAMAPK1RAB9A
SCHEMBL9065090 0.71 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL9064545 0.71 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL9064493 0.70 ALDH1A1 (0.43) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL9064489 0.70 ALDH1A1 (0.43) ALDH1A1POLBLMNAMAPK1SMN1; SMN2

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-5508415-A HAVING STRONG HERBICIDAL POTENCY, NOTICEABLE SELECTIVITY BETWEEN CROP PLANTS AND WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-16 US disclosed
EP-0446802-B1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1995-06-07 EP disclosed
US-5244863-A Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-14 US disclosed
EP-0446802-A1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed