SCHEMBL6945213

SCHEMBL6945213

COCc1ccc2ccn(C(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
BRD4 O60885 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
RET P07949 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA2 P00918 1/20 0.33
HTR2C P28335 4/20 0.33
HTR2A P28223 2/20 0.33
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL22156293 0.81 HTR7 (0.43) LMNABRD4MAPK11MAPK14HDAC8
SCHEMBL20946399 0.80 HTR2A (0.37) BRD4MAPK11MAPK14CA2HTR2C
SCHEMBL758075 0.80 MAPK11 (0.38) BRD4MAPK11MAPK14HDAC8CA2
SCHEMBL23665141 0.79 BRD4 (0.40) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL6945456 0.78 CYP2A6 (0.46) LMNATP53HDAC8CA2HTR2C
SCHEMBL11977074 0.75 PTGS2 (0.47) LMNAMAPK11MAPK14HDAC8CA2
SCHEMBL6741120 0.75 HRH3 (0.41) TP53HTR2CHTR2AALDH1A1
SCHEMBL20656044 0.75 HTR2C (0.49) HTR2CHTR2ASMN1; SMN2
SCHEMBL15724412 0.74 HTR2C (0.41) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL20655542 0.74 MCL1 (0.40) HTR2CHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915872-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6030994-A ANTIPROLIFERATIVE, TUMOR AND CARCINOGENIC AGENTS; PARTICULARLY FOR TREATMENT OF SOLID TUMORS AND THOSE OF THE BREAST AND COLON HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5856517-A ANTIPROLIFERATIVE AGENTS USEFUL IN THE TREATMENT OF CANCER. HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed