SCHEMBL8765618

SCHEMBL8765618

O=C1CC(=O)c2cccc(F)c2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.41
AHR P35869 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRL1 P41146 1/20 0.39
TDP2 O95551 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
MAP3K14 Q99558 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
PDE7A Q13946 1/20 0.37
PDE3B Q13370 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
SCHEMBL15621406 0.81 TDP2 (0.56) SRD5A1AHRMEN1KMT2AOPRL1
SCHEMBL13312397 0.78 GSK3B (0.41) AHRMEN1KMT2ATDP2CASP3
SCHEMBL3906100 0.78 CCNB2 (0.49) AHRMEN1KMT2ATDP2CASP3
SCHEMBL261018 0.77 AHR (0.61) SRD5A1AHRMEN1KMT2AOPRL1
SCHEMBL13312445 0.76 BRD4 (0.44) AHRTDP2CASP3CASP7CASP9
SCHEMBL5497492 0.72 AHR (0.44) AHRMEN1KMT2ATDP2CASP3
SCHEMBL30049302 0.71 TDP2 (0.37) AHRTDP2CASP3CASP7CASP9
SCHEMBL31259557 0.71 MAPK14 (0.36) KMT2ACA1CA2CA7CA9
SCHEMBL281604 0.71 CES1 (0.60) CASP3CASP7CASP6CASP8CA1
SCHEMBL29506270 0.71 CES1 (0.60) CASP3CASP7CASP6CASP8CA1

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
EP-0638065-B1 A PROCESS FOR THE PREPARATION OF 3- AND/OR 5-SUBSTITUTED ANTHRANILIC ACIDS DOWELANCO (US) 1997-08-06 EP disclosed
EP-0638065-A1 A PROCESS FOR THE PREPARATION OF 3- AND/OR 5-SUBSTITUTED ANTHRANILIC ACIDS. DOWELANCO (US) 1995-02-15 EP disclosed
WO-1993022276-A1 A PROCESS FOR THE PREPARATION OF 3- AND/OR 5-SUBSTITUTED ANTHRANILIC ACIDS DOWELANCO (US) 1993-11-11 WO disclosed
US-5189210-A Process for the preparation of 3- and/or 5-substituted anthranilic acids DOWELANCO (US) 1993-02-23 US disclosed