SCHEMBL9506490

SCHEMBL9506490

Cc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
KDM1A O60341 1/20 0.39
EGLN2 Q96KS0 2/20 0.38
AR P10275 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XDH P47989 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
ACVR1 Q04771 1/20 0.36
NPC1 O15118 3/20 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
SCHEMBL9511667 0.85 TRPV4 (0.42) CYP11B1CYP11B2KDM1AEGLN2TRPV4
SCHEMBL10532893 0.84 NPC1 (0.53) CYP11B1CYP11B2EGLN2NPSR1TRPV4
SCHEMBL9506146 0.84 CYP2A6 (0.38) CYP11B1CYP11B2EGLN2XDHTRPV4
SCHEMBL9506365 0.84 KDM4E (0.48) CYP11B1CYP11B2ARNPSR1ADORA2A
SCHEMBL19935579 0.84 PDE9A (0.40) CYP11B1CYP11B2KDM1AEGLN2ADORA1
SCHEMBL12012492 0.84 TRPV4 (0.47) CYP11B1CYP11B2KDM1AEGLN2AR
SCHEMBL17053356 0.83 TRPV4 (0.38) CYP11B1CYP11B2KDM1AEGLN2XDH
SCHEMBL9506392 0.82 CYP11B1 (0.49) CYP11B1CYP11B2XDHHPGDKDM4E
SCHEMBL9506512 0.82 RAB9A (0.40) CYP11B1CYP11B2EGLN2NPSR1XDH
SCHEMBL15829138 0.82 TRPV4 (0.37) CYP11B1CYP11B2KDM1AEGLN2TRPV4

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-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP claimed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP claimed
EP-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP disclosed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP disclosed