SCHEMBL30137705

SCHEMBL30137705

C[P@](c1nc2ccccc2nc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22714066 1.00 LMNA (0.36) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714067 1.00 LMNA (0.36) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL4084097 0.94 CYP11B1 (0.38) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714072 0.84 CYP11B1 (0.33) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714073 0.84 CYP11B1 (0.33) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL30137702 0.84 CYP11B1 (0.33) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714071 0.84 SMN1; SMN2 (0.34) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714069 0.84 SMN1; SMN2 (0.34) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714064 0.79 LMNA (0.33) LMNASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL22714065 0.79 LMNA (0.33) LMNASMN1; SMN2HTTCYP11B1CYP11B2

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-111032668-B Optically active 2,3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, and process for producing organoboron compound 日本化学工业株式会社 2022-10-14 CN disclosed