SCHEMBL9475952

SCHEMBL9475952

COc1ccc(C(CCc2cccnc2)=NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ESR1 P03372 2/20 0.47
CYP19A1 P11511 2/20 0.47
PTAFR P25105 5/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ACP1 P24666 1/20 0.43

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
SCHEMBL9475946 1.00 GAA (0.53) GAASMN1; SMN2KDM4EESR1CYP19A1
SCHEMBL7365545 0.83 TBXAS1 (0.49) SMN1; SMN2KDM4EESR1CYP19A1KMT2A
SCHEMBL7365547 0.83 TBXAS1 (0.49) SMN1; SMN2KDM4EESR1CYP19A1KMT2A
SCHEMBL7367952 0.82 RAB9A (0.68) GAASMN1; SMN2PTAFRKMT2ARAB9A
SCHEMBL7399982 0.79 TBXAS1 (0.49) SMN1; SMN2KDM4EKMT2ARAB9ANPC1
SCHEMBL28177089 0.77 KMT2A (0.56) GAASMN1; SMN2PTAFRKMT2ARAB9A
SCHEMBL19090372 0.74 TDP1 (0.57) GAAPTAFRKMT2ACRHBPCRHR2
SCHEMBL7366589 0.74 KDM4E (0.50) GAASMN1; SMN2KDM4ECYP19A1KMT2A
SCHEMBL6280463 0.72 GAA (0.65) GAASMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL13268902 0.72 SMN1; SMN2 (0.64) GAASMN1; SMN2KDM4EKMT2A

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
US-5208343-A Antidepressants, antiinflammatory WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed