SCHEMBL6529609

SCHEMBL6529609

O=Cc1ccc(C#CCN2CCOc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TSHR P16473 5/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 1/20 0.37
GRM5 P41594 1/20 0.34
LMNA P02545 2/20 0.34
PDK1 Q15118 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6507599 0.82 GSK3B (0.48) POLBHPGD
SCHEMBL6507602 0.82 GSK3B (0.48) POLBHPGD
SCHEMBL6505495 0.79 ALDH1A1 (0.46) KMT2ATSHRMAPTALDH1A1POLB
SCHEMBL6533265 0.77 PTAFR (0.46) KMT2ATSHRMAPTALDH1A1POLB
SCHEMBL5107391 0.76 KMT2A (0.43) KMT2ATSHRMAPTALDH1A1HTR1A
SCHEMBL6532625 0.76 MAPT (0.40) KMT2AMAPTALDH1A1POLBNOTUM
SCHEMBL6512702 0.76 P2RX4 (0.35) KMT2ATSHRALDH1A1HPGDLMNA
SCHEMBL6528104 0.74 PPARG (0.43) KMT2ATSHRMAPTALDH1A1HPGD
SCHEMBL21729164 0.72 KMT2A (0.52) KMT2ATSHRMAPTALDH1A1HTR1A
SCHEMBL6532464 0.72 PPARA (0.54)

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
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed