SCHEMBL5201509

SCHEMBL5201509

CC(=O)On1c(C)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
TSHR P16473 3/20 0.41
MCL1 Q07820 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL28853394 0.83 DAO (0.41) TP53KDM4ETSHRMCL1MEN1
SCHEMBL6471856 0.80 MCL1 (0.39) TP53KDM4ETSHRMCL1MAPT
SCHEMBL28907783 0.79 HDAC10 (0.43) TP53KDM4ETSHRMCL1ALDH1A1
SCHEMBL5227447 0.79 ALDH1A1 (0.56) KDM4EMCL1KMT2AALDH1A1HSD17B10
SCHEMBL17594938 0.79 ALDH1A1 (0.45) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL28790758 0.79 ACLY (0.43) NPC1RAB9AHPGDLMNA
SCHEMBL28548039 0.77 POLB (0.52) TP53KDM4ETSHRMCL1MEN1
SCHEMBL9496147 0.76 CA12 (0.50) KDM4ETSHRMCL1KMT2AMAPT
SCHEMBL670199 0.76 SMN1; SMN2 (0.47) TP53KDM4ETSHRMCL1MEN1
SCHEMBL9849390 0.75 IRAK4 (0.44) KDM4EMCL1MEN1KMT2AMAPT

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-1829872-B1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-07-29 EP disclosed
EP-1829872-A1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2007-09-05 EP disclosed