SCHEMBL29910288

SCHEMBL29910288

COC(=O)c1cc(C(F)(F)F)cc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.53
NOTUM Q6P988 1/20 0.46
MAPT P10636 3/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
NQO2 P16083 4/20 0.40

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
SCHEMBL2088462 1.00 CFTR (0.53) CFTRNOTUMMAPTGABRPGABRD
SCHEMBL21044587 0.88 NOTUM (0.53) CFTRNOTUMMAPTSMN1; SMN2KDM4E
SCHEMBL16303300 0.82 NOTUM (0.47) CFTRNOTUMMAPTGABRPGABRD
SCHEMBL30261881 0.81 NOTUM (0.46) CFTRNOTUMMAPTGABRPGABRD
SCHEMBL16505957 0.81 NOTUM (0.46) CFTRNOTUMMAPTGABRPGABRD
SCHEMBL21044459 0.79 NOTUM (0.47) CFTRNOTUMMAPTSMN1; SMN2KDM4E
SCHEMBL23326908 0.77 ADORA3 (0.49) CFTRNOTUMMAPTKDM4EGPR35
SCHEMBL20943981 0.77 NOTUM (0.47) CFTRNOTUMMAPTSMN1; SMN2KDM4E
SCHEMBL30745008 0.77 NOTUM (0.47) CFTRNOTUMMAPTSMN1; SMN2KDM4E
SCHEMBL29910346 0.77 ADORA3 (0.49) CFTRNOTUMMAPTKDM4EGPR35

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
EP-4055017-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-09-14 EP disclosed