SCHEMBL9737883

SCHEMBL9737883

Cc1c2n(c3ccc(C(C)C)cc13)CCC2=NO

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
RECQL P46063 1/20 0.63
MAPT P10636 3/20 0.44
PTGES2 Q9H7Z7 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL9736655 0.80 KDM4E (0.37) KDM4ERECQLMAPTPTGES2AKR1B10
SCHEMBL10727157 0.72 KDM4E (0.53) KDM4ERECQLMAPTMAPK1KMT2A
SCHEMBL9738190 0.65 RAD52 (0.33) KDM4EPTGES2MEN1KMT2ATRPA1
SCHEMBL10726787 0.64 KDM4E (0.53) KDM4ERECQLMAPTMAPK1KMT2A
SCHEMBL14445624 0.60 HTT (0.57) MAPK1
SCHEMBL16017509 0.59 MTNR1A (0.39) KDM4EMAPTMEN1KMT2ATRPA1
SCHEMBL8687445 0.59 PTGES2 (0.43) KDM4EPTGES2MEN1KMT2ATRPA1
SCHEMBL12083594 0.59 RORA (0.46) KDM4EMAPTMEN1KMT2ATRPA1
SCHEMBL25765617 0.59 MEN1 (0.45) MEN1KMT2ATRPA1PTGS1CACNA1C
SCHEMBL22178735 0.58 PARP15 (0.38) TRPA1PTGS1CACNA1C

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-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 WO disclosed