SCHEMBL30004097

SCHEMBL30004097

C#CCOc1cc(F)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HPGD P15428 2/20 0.41
MAOB P27338 3/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.37
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
GSTP1 P09211 1/20 0.34

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
SCHEMBL1477797 1.00 FFAR1 (0.44) FFAR1FFAR4HPGDMAOBPKM
SCHEMBL1477283 0.86 PKM (0.54) HPGDMAOBPKMMAPTCA12
SCHEMBL12749278 0.81 MAOB (0.41) HPGDMAOBMAPTCYP3A4CYP2A6
SCHEMBL14037318 0.79 MAOB (0.40) HPGDMAOBMAPTCYP3A4CYP2A6
SCHEMBL21728096 0.79 FFAR1 (0.44) FFAR1FFAR4HPGDMAOBMAPT
SCHEMBL28586710 0.79 HPGD (0.41) HPGDMAOBMAPTCA12CA2
SCHEMBL1477058 0.79 LMNA (0.44) HPGDMAOBMAPTTSHRLMNA
SCHEMBL31177911 0.78 HPGD (0.45) HPGDMAOBMAPTCA12CA2
SCHEMBL24947180 0.78 HPGD (0.38) HPGDMAOBMAPTCA12CA2
SCHEMBL1477316 0.78 MAOB (0.41) HPGDMAOBMAPTCYP3A4CYP2A6

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-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed