SCHEMBL16299408

SCHEMBL16299408

CN1CCCN(Cc2ccc(I)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 14/20 0.75
CA2 P00918 1/20 0.71
NCF1 P14598 1/20 0.71
PRMT6 Q96LA8 1/20 0.71
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.59
MC4R P32245 1/20 0.58
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL4427871 0.93 LMNA (0.67) CHKACA2NCF1PRMT6KDM4E
SCHEMBL16121577 0.86 CHKA (1.00) CHKACA2NCF1PRMT6KDM4E
SCHEMBL19671018 0.84 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL13246320 0.84 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12203050 0.84 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL2056181 0.84 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL18546870 0.84 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12203051 0.84 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL1640969 0.83 HRH3 (0.74) NCF1KDM4EHRH3
SCHEMBL16095812 0.83 CHKA (0.75) CHKACA2NCF1PRMT6KDM4E

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
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed
EP-2298304-A2 Carboline derivatives useful in the treatment of cancer PTC Therapeutics, Inc. (US) 2011-03-23 EP disclosed