SCHEMBL6904514

SCHEMBL6904514

Clc1ccc2c(c1)Cc1ccc(Cl)cc1C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
METAP1 P53582 1/20 0.48
PNMT P11086 4/20 0.46
AHR P35869 2/20 0.45
CMA1 P23946 1/20 0.45
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
LMNA P02545 1/20 0.39
CYP2A6 P11509 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
PGR P06401 1/20 0.39
F7 P08709 1/20 0.38
PARP1 P09874 1/20 0.38
F3 P13726 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
Ammonia Solution, Strong SCHEMBL1325642 0.97
Bromide SCHEMBL189011 0.97
Hydrochloric Acid SCHEMBL8894992 0.95 HTR2A (0.46) HTR2AHTR2CHTR2BMETAP1PNMT
SCHEMBL6905658 0.92 HTR2A (0.45) HTR2AHTR2CHTR2BMETAP1PNMT
SCHEMBL31196699 0.92 HTR2A (0.45) HTR2AHTR2CHTR2BMETAP1PNMT
SCHEMBL31196698 0.92 HTR2A (0.45) HTR2AHTR2CHTR2BMETAP1PNMT
Methylamine SCHEMBL3589883 0.90 HTR2A (0.43) HTR2AHTR2CHTR2BMETAP1PNMT
SCHEMBL16559360 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BMETAP1PNMT
SCHEMBL6904969 0.86 HTR2A (0.50) HTR2AHTR2CHTR2BPNMTCA1
SCHEMBL29572171 0.86 METAP1 (0.57) HTR2AHTR2CHTR2BMETAP1PNMT

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed