SCHEMBL9737169

SCHEMBL9737169

Cc1c2n(c3ccc(C(C)C)cc13)CCC2N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.34
PAX8 Q06710 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALOX5AP P20292 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL9738190 0.74 RAD52 (0.33) PAX8PTGES2MEN1KMT2AKDM4E
SCHEMBL10005758 0.64 PAX8 (0.76) PAX8MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL14972550 0.63 PAX8 (0.74) PAX8MEN1KMT2AKDM4EGAA
SCHEMBL9736655 0.63 KDM4E (0.37) PTGES2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9737883 0.60 KDM4E (0.63) PTGES2MEN1KMT2AKDM4EMAPT
SCHEMBL15144855 0.60 PAX8 (0.62) PAX8MEN1KMT2AKDM4EGAA
SCHEMBL8687445 0.60 PTGES2 (0.43) PTGES2MEN1KMT2AKDM4EGAA
SCHEMBL19531647 0.56 KDM4E (0.43) KDM4EGAAALDH1A1
SCHEMBL26398797 0.56 RORA (0.42) GAAALDH1A1
SCHEMBL7749394 0.56 PTGES2 (0.47) PTGES2KDM4EGAAALDH1A1MAPT

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