SCHEMBL6516779

SCHEMBL6516779

C#Cc1cccc(C#C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PADI4 Q9UM07 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
CYP2A6 P11509 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL9842404 0.85 ALDH1A1 (0.40) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL6903631 0.75 ALDH1A1 (0.42) MEN1KMT2ATDP1ALDH1A1CA1
SCHEMBL711033 0.73 LMNA (0.55) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL9689968 0.73 KMT2A (0.42) MEN1KMT2ATDP1ALDH1A1CA1
SCHEMBL32666059 0.72 ERN1 (0.42) MEN1KMT2ATDP1ALDH1A1CA1
SCHEMBL20798207 0.72 ERN1 (0.42) MEN1KMT2ATDP1ALDH1A1CA1
SCHEMBL9842365 0.72 TDP1 (0.41) MEN1KMT2ATDP1ALDH1A1CA1
SCHEMBL6410910 0.72 CA12 (0.32) CA12CA1CA2CA9CA14
SCHEMBL16653119 0.72 ERN1 (0.61) MEN1KMT2ATDP1ALDH1A1CA1
Benzene SCHEMBL28197607 0.71 LMNA (0.52) MEN1KMT2ATDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916982-B2 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 US disclosed
WO-2003105237-A1 SYNTHESIS OF PERYLENE-PORPHYRIN BUILDING BLOCKS AND POLYMERS THEREOF FOR THE PRODUCTION OF LIGHT-HARVESTING ARRAYS NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-18 WO disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed