SCHEMBL9736655

SCHEMBL9736655

Cc1c2n(c3ccc(C(C)C)cc13)CCC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
PABPC1 P11940 1/20 0.33
LMNA P02545 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CASR P41180 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL9737883 0.80 KDM4E (0.63) KDM4ERECQLMEN1KMT2AATM
SCHEMBL9844706 0.75 KDM4E (0.60) KDM4ERECQLMAPTPABPC1TP53
SCHEMBL10729878 0.71 ALDH1A1 (0.41) KDM4ERECQLMEN1KMT2AMAPT
SCHEMBL10725922 0.67 KDM4E (0.54) KDM4ERECQLMAPTPABPC1TP53
SCHEMBL9738190 0.65 RAD52 (0.33) KDM4EMEN1KMT2APTGES2TP53
SCHEMBL15341928 0.62 RORA (0.48) KDM4EMEN1KMT2AATMMAPT
SCHEMBL8687445 0.62 PTGES2 (0.43) KDM4EMEN1KMT2ARORARORC
SCHEMBL12083594 0.61 RORA (0.46) KDM4EMEN1KMT2AMAPTRORA
SCHEMBL25765617 0.61 MEN1 (0.45) MEN1KMT2ARORARORCRORB
SCHEMBL26398797 0.60 RORA (0.42) RORARORCRORBLMNAALDH1A1

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