SCHEMBL7366589

SCHEMBL7366589

COc1ccc(CC(Cc2cccnc2)=NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
THRB P10828 2/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
IDO1 P14902 1/20 0.46
HTT P42858 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KMT2A Q03164 2/20 0.46
CTBP2 P56545 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
NAPRT Q6XQN6 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
SCHEMBL7360526 0.83 NAPRT (0.58) KDM4EKMT2ACYP19A1CYP2C9NAPRT
SCHEMBL28177089 0.77 KMT2A (0.56) THRBGAACRHBPCRHR2SMN1; SMN2
SCHEMBL1601592 0.77 LTA4H (0.63) GAACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL6280463 0.75 GAA (0.65) KDM4ETHRBGAASMN1; SMN2IDO1
SCHEMBL20633917 0.75 GAA (0.54) KDM4ETHRBGAASMN1; SMN2IDO1
SCHEMBL13268903 0.75 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2IDO1HTTKMT2A
SCHEMBL13268901 0.75 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2IDO1HTTKMT2A
SCHEMBL19090372 0.74 TDP1 (0.57) GAACRHBPCRHR2KMT2A
SCHEMBL9475946 0.74 GAA (0.53) KDM4EGAACRHBPCRHR2SMN1; SMN2
SCHEMBL9475952 0.74 GAA (0.53) KDM4EGAACRHBPCRHR2SMN1; SMN2

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