SCHEMBL27968752

SCHEMBL27968752

c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1c-3cccc1-c1c2ccccc2cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.47
HTR1A P08908 1/20 0.47
PNMT P11086 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
CES1 P23141 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL27656924 0.82 ALOX5 (0.41) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL28115162 0.82 PNMT (0.52) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL27631807 0.80 HTR1A (0.53) HTR7HTR1AKDM4EMAPTSMN1; SMN2
SCHEMBL28897871 0.79 HTR7 (0.42) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL29249276 0.79 ALDH1A1 (0.47) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL5048009 0.79 PNMT (0.46) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL27639839 0.79 PNMT (0.41) HTR7HTR1APNMTNPC1RAB9A
Fluorene SCHEMBL28444035 0.79 PNMT (0.49) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL6675750 0.77 PNMT (0.50) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL29555007 0.77 PNMT (0.50) HTR7HTR1APNMTNPC1RAB9A

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
CN-104003846-A Indan-acetylaminofluorene and synthetic method thereof UNIV SHANGHAI 2014-08-27 CN disclosed