SCHEMBL30438396

SCHEMBL30438396

C=Cc1cncc(Cl)c1-c1cc(C2CC2)on1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.36
STAT3 P40763 2/20 0.34
STAT1 P42224 1/20 0.34
SMYD3 Q9H7B4 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30

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
SCHEMBL20952090 0.85 RET (0.41) RETSTAT3STAT1DRD2DRD4
SCHEMBL24638845 0.70 RET (0.42) RETSMYD3NPC1RAB9ATSHR
SCHEMBL19900076 0.70 STAT1 (0.50) RETSTAT3STAT1DRD2DRD4
Hydrochloric Acid SCHEMBL30437434 0.69 STAT1 (0.49) RETSTAT3STAT1DRD2DRD4
Iodide SCHEMBL29388459 0.69 STAT1 (0.49) RETSTAT3STAT1DRD2DRD4
SCHEMBL30437727 0.66 STAT1 (0.51) RETSTAT3STAT1DRD2DRD4
SCHEMBL17301340 0.65 RAB9A (0.50) RETSTAT3STAT1DRD2DRD4
SCHEMBL11836452 0.63 NPC1 (0.45) RETDRD2DRD4DRD3NPC1
SCHEMBL30605718 0.63 STAT3 (0.52) RETSTAT3STAT1DRD2DRD4
SCHEMBL21179066 0.62 RET (0.43) RETSTAT3STAT1DRD2DRD4

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
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN disclosed