SCHEMBL21606397

SCHEMBL21606397

CCOC(=O)c1cn(-c2ncc(Br)cc2OC(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
OPRK1 P41145 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL21606405 0.89 NOTUM (0.49) NOTUMOPRK1MEN1KMT2ASMN1; SMN2
SCHEMBL21606501 0.83 GABRA2 (0.40) OPRK1L3MBTL1SMN1; SMN2GABRG2GABRB3
SCHEMBL21606455 0.81 GABRA2 (0.40) OPRK1L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL21605613 0.75 FAAH (0.39) OPRK1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL21598060 0.74 RORC (0.45) OPRK1L3MBTL1ALDH1A1
SCHEMBL27592203 0.74 NOTUM (0.53) NOTUMMEN1KMT2ASMN1; SMN2GAA
SCHEMBL21606475 0.74 RORC (0.46)
SCHEMBL9372779 0.73 NOTUM (0.61) NOTUMMEN1KMT2AGABRA2GABRB2
SCHEMBL31309319 0.73 RXFP1 (0.45) MEN1KMT2ASMN1; SMN2GAAGABRG2
SCHEMBL21639372 0.72 NOTUM (0.67) NOTUMMEN1KMT2ASMN1; SMN2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed