SCHEMBL7399982

SCHEMBL7399982

O=C(CCc1cccnc1)c1ccccc1.ON=C(CCc1cccnc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.49
PLOD2 O00469 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HSD11B1 P28845 1/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL7365545 0.92 TBXAS1 (0.49) TBXAS1KDM4EALDH1A1LMNACYP1A2
SCHEMBL7365547 0.92 TBXAS1 (0.49) TBXAS1KDM4EALDH1A1LMNACYP1A2
SCHEMBL9475090 0.89 PLOD2 (0.60) TBXAS1PLOD2KDM4EALDH1A1LMNA
SCHEMBL16310778 0.83 TBXAS1 (0.58) TBXAS1PLOD2LMNACYP1A2CYP3A4
SCHEMBL3247901 0.80 PLOD2 (0.65) TBXAS1PLOD2KDM4EALDH1A1LMNA
SCHEMBL30965433 0.80 PLOD2 (0.65) TBXAS1PLOD2KDM4EALDH1A1LMNA
SCHEMBL9475946 0.79 GAA (0.53) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL9475952 0.79 GAA (0.53) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL9323799 0.77 NAPRT (0.54) PLOD2KDM4ELMNACYP1A2CYP3A4
SCHEMBL9323795 0.77 NAPRT (0.54) PLOD2KDM4ELMNACYP1A2CYP3A4

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
WO-1993019047-A1 TETRAHIDROPYRIDINYL (3/4) SUBSTITUED OXIMES HAVING SIGMA RECEPTOR AFFINITY AND THEIR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM CONDITIONS WARNER-LAMBERT COMPANY (US) 1993-09-30 WO disclosed