SCHEMBL16301433

SCHEMBL16301433

O=[N+]([O-])c1ccc(C2NCCc3c2[nH]c2ccc(Br)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.54
HTR2C P28335 16/20 0.54
PRMT5 O14744 1/20 0.52
EGFR P00533 1/20 0.52
HTR2B P41595 3/20 0.49

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
SCHEMBL14389998 0.89 HTR2A (0.57) HTR2AHTR2CHTR2B
SCHEMBL764077 0.87 HTR2A (0.65) HTR2AHTR2CHTR2B
SCHEMBL16301428 0.86 HTR2C (0.69) HTR2AHTR2CHTR2B
SCHEMBL29497173 0.83 HTR7 (0.69) HTR2AHTR2CPRMT5EGFR
SCHEMBL6780834 0.83 HTR7 (0.69) HTR2AHTR2CPRMT5EGFR
Hydrochloric Acid SCHEMBL18493205 0.82 HTR7 (0.67) HTR2AHTR2CPRMT5EGFR
SCHEMBL8404356 0.82 HTR2A (0.70) HTR2AHTR2CHTR2B
SCHEMBL763692 0.82 HTR2A (0.73) HTR2AHTR2CHTR2B
SCHEMBL8402850 0.82 HTR2A (0.70) HTR2AHTR2CHTR2B
SCHEMBL8402824 0.82 HTR2A (0.72) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431369-A2 Carboline derivatives useful in the inhibition of angiogenesis PTC Therapeutics, Inc. (US) 2012-03-21 EP disclosed
WO-2011150162-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2011-12-01 WO disclosed
EP-2298304-A2 Carboline derivatives useful in the treatment of cancer PTC Therapeutics, Inc. (US) 2011-03-23 EP disclosed
US-7767689-B2 Carboline derivatives useful in the treatment of cancer PTC THERAPEUTICS, INC. (US) 2010-08-03 US disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed