SCHEMBL28026745

SCHEMBL28026745

C[CH]Cc1cc(Cl)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
HIF1A Q16665 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
IDO1 P14902 2/20 0.42
SLC22A1 O15245 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
HSPD1 P10809 1/20 0.42
HSPA5 P11021 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6447941 0.82 CYP3A4 (0.42) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL28255167 0.82 PTGDR (0.47) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL28074487 0.82 HPGD (0.61) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL6033569 0.77 IDO1 (0.54) CYP3A4HTTLMNAIDO1SMN1; SMN2
SCHEMBL27835671 0.76 CYP2A6 (0.40) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL9861809 0.76 CYP3A4 (0.48) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL8418306 0.76 CYP3A4 (0.48) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL31459834 0.76 CYP3A4 (0.48) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL14363075 0.74 IDO1 (0.56) CYP3A4HIF1AMEN1HPGDALOX15
SCHEMBL12167672 0.74 CYP3A4 (0.46) CYP3A4HIF1AMEN1HPGDALOX15

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-102036990-B Novel tyrosine kinase inhibitors CHEMBRIDGE CORP. (US) 2015-09-30 CN disclosed