SCHEMBL6943441

SCHEMBL6943441

O=C(O)C(=O)CC(=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 1.00
ERCC5 P28715 7/20 0.57
FEN1 P39748 7/20 0.57
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR3C1 P04150 1/20 0.47
HAO1 Q9UJM8 2/20 0.46
MEN1 O00255 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL6950179 0.84 PTPN1 (0.72) PTPN1ERCC5FEN1KMT2ANR3C1
SCHEMBL7403019 0.82 PTPN1 (0.70) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL6952400 0.82 PTPN1 (0.68) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL6945998 0.81 PTPN1 (0.67) PTPN1ERCC5FEN1CRHBPCRHR2
SCHEMBL11228424 0.80 PTPN1 (0.67) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL22658227 0.79 CRHBP (0.68) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL28458480 0.79 PTPN1 (0.65) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL21377435 0.78 PTPN1 (0.64) PTPN1CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL7196671 0.77 ERCC5 (0.66) PTPN1ERCC5FEN1KMT2AHAO1
SCHEMBL6940911 0.77 PTPN1 (0.72) PTPN1ERCC5FEN1KMT2AHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP claimed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US claimed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP claimed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO claimed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed