SCHEMBL15577145

SCHEMBL15577145

OB(OOC(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.41
ORAI1 Q96D31 3/20 0.41
ORAI2 Q96SN7 3/20 0.41
ORAI3 Q9BRQ5 3/20 0.41
PCSK9 Q8NBP7 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MGLL Q99685 2/20 0.32

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
SCHEMBL28745155 0.82 TRPV6 (0.37) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1429795 0.79 TRPV6 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL15570627 0.78 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28745277 0.75 ORAI1 (0.37) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL262207 0.71 ENPP2 (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL874879 0.71 TRPV6 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL184420 0.70 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL5952291 0.70 CA4 (0.32) TRPV6ORAI1ORAI2ORAI3PCSK9
Fluoride SCHEMBL28835775 0.70 ENPP2 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL624916 0.70 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117412967-A Methionine adenosine transferase 2A inhibitors 南京正大天晴制药有限公司 2024-01-16 CN disclosed
WO-2022253242-A1 METHIONINE ADENOSYLTRANSFERASE 2A INHIBITOR 南京正大天晴制药有限公司 2022-12-08 WO disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 CN disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
EP-3668873-A1 IMIDAZO[1,2-A]IMIDAZOL-2-ONE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS PARKINSON'S DISEASE H. Hoffnabb-La Roche Ag (CH) 2020-06-24 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
WO-2019034713-A1 IMIDAZO[1,2-A]IMIDAZOL-2-ONE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-02-21 WO disclosed
EP-2895478-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014041106-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed