SCHEMBL13638716

SCHEMBL13638716

CCSc1ccc(C(C2=CCC(C(=O)c3ccc(C)cc3)N2)c2ccccc2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRD1 P41143 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL13638718 0.79 MEN1 (0.38) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8986302 0.77 MEN1 (0.36) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL14282584 0.62 AKR1C3 (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8986303 0.61 LMNA (0.37) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8986306 0.58 AKR1C3 (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL12629680 0.57 KMT2A (0.36) KMT2AMEN1POLB
SCHEMBL8986301 0.57 AKR1C3 (0.38) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4388274 0.57 MLKL (0.31)
SCHEMBL13638717 0.57 AKR1C3 (0.38) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11922326 0.57 AKR1C3 (0.38) MAPTKMT2AMEN1KDM4EALDH1A1

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
US-8304561-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-11-06 US disclosed