SCHEMBL9301200

SCHEMBL9301200

CCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
MAPK14 Q16539 2/20 0.48
CENPE Q02224 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7878088 0.78 TSHR (0.66) ELANEPKMALDH1A1KMT2AKDM4E
SCHEMBL30639225 0.78 TSHR (0.66) ELANEPKMALDH1A1KMT2AKDM4E
SCHEMBL8989478 0.78 CENPE (0.53) PKMALDH1A1MEN1KMT2AKDM4E
SCHEMBL9867870 0.77 ALDH1A1 (0.68) ELANEPKMALDH1A1KMT2AKDM4E
SCHEMBL7843260 0.76 GABRA2 (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL23931478 0.76 ALDH1A1 (0.56) ELANEPKMALDH1A1KMT2AKDM4E
SCHEMBL8689676 0.76 ALDH1A1 (0.56) ELANEPKMALDH1A1KMT2AKDM4E
SCHEMBL1920160 0.76 MAPT (0.62) ELANEPKMALDH1A1KMT2AKDM4E
SCHEMBL7852329 0.75 TP53 (0.41) PKMALDH1A1MEN1KMT2AKDM4E
SCHEMBL5172816 0.75 KMT2A (0.48) PKMALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354772-A Anticholesterol agents SANDOZ PHARM. CORP. (US) 1994-10-11 US disclosed
US-4739073-A ANTICHOLESTEROL AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1988-04-19 US disclosed
EP-0114027-B1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1988-01-07 EP disclosed
WO-1984002131-A1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-06-07 WO disclosed