SCHEMBL5488396

SCHEMBL5488396

Cn1ccnc1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.60
HTR2A P28223 1/20 0.60
BRD4 O60885 1/20 0.49
DHFR P00374 1/20 0.43
KDM4E B2RXH2 3/20 0.41
CYP2A6 P11509 1/20 0.39
HPGD P15428 1/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
ALOX15 P16050 1/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38
BRCA1 P38398 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5486071 0.87 HTR2C (0.66) HTR2CHTR2ABRD4DHFRKDM4E
SCHEMBL5489717 0.81 HTR2C (0.51) HTR2CHTR2ABRD4KDM4ECYP2A6
SCHEMBL21128511 0.76 HTR2C (0.51) HTR2CHTR2ABRD4DHFRKDM4E
SCHEMBL29407412 0.74 ALDH1A1 (0.50) DHFRKDM4ECYP2A6HPGDCASP1
SCHEMBL702934 0.74 ALDH1A1 (0.50) DHFRKDM4ECYP2A6HPGDCASP1
SCHEMBL5509675 0.73 HTR2C (0.50) HTR2CHTR2ABRD4KDM4ECYP2A6
SCHEMBL14363717 0.72 CCR1 (0.42) HTR2CHTR2ADHFRKDM4EHPGD
SCHEMBL21128572 0.71 HTR2C (0.49) HTR2CHTR2ABRD4KDM4ECASP1
Hydrochloric Acid SCHEMBL4345829 0.71 BRD4 (0.57) HTR2CHTR2ABRD4KDM4ECASP1
SCHEMBL3399314 0.71 KMT2A (0.55) HTR2CHTR2AKDM4ECYP2A6KMT2A

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
US-7291404-B2 Organic light emitting devices LG.PHILIPS LCD CO., LTD. (KR) 2007-11-06 US claimed
US-7291404-B2 Organic light emitting devices LG.PHILIPS LCD CO., LTD. (KR) 2007-11-06 US disclosed