SCHEMBL9199038

SCHEMBL9199038

O=C1CC(c2ccncc2)C2(c3cccnc3-c3ncccc32)C(c2ccncc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP19A1 P11511 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9198802 0.90 NFKB1 (0.45) NFKB1NFKB2RELAMAPTKMT2A
SCHEMBL9200820 0.86 CYP2A6 (0.40) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9198144 0.86 LIG1 (0.36) NFKB1NFKB2RELATP53GAA
SCHEMBL9545532 0.82 MAPT (0.35) NFKB1NFKB2RELAMAPTKMT2A
SCHEMBL9275393 0.82 PDK2 (0.33) KMT2AGAADDB1CRBNPDK2
SCHEMBL9194471 0.79 GSK3B (0.47) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9195303 0.79 CYP2A6 (0.36) KMT2AGAATDP2NSD2ABL1
SCHEMBL9198107 0.70 NFKB1 (0.46) NFKB1NFKB2RELACYP19A1MAPT
SCHEMBL9198100 0.70 NFKB1 (0.46) NFKB1NFKB2RELACYP19A1MAPT
SCHEMBL9545138 0.68 CYP19A1 (0.37) NFKB1NFKB2RELACYP19A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636132-A1 SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-02-01 EP disclosed
WO-1993021185-A1 SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-10-28 WO disclosed