SCHEMBL6512702

SCHEMBL6512702

O=Cc1ccc(C#CCN2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 6/20 0.35
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6533265 0.82 PTAFR (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6532221 0.82 MTNR1A (0.35) P2RX4LMNAMEN1KMT2AALDH1A1
SCHEMBL6511729 0.81 MEN1 (0.39) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6529609 0.76 KMT2A (0.43) LMNAKMT2AALDH1A1HPGDTSHR
SCHEMBL6002543 0.72 PPARA (0.53) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6505495 0.70 ALDH1A1 (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6509090 0.70 PTGER4 (0.44) LMNAALDH1A1KDM4ENPC1HPGD
SCHEMBL30633029 0.69 P2RX4 (0.41) P2RX4ALDH1A1CYP2A6KDM4E
SCHEMBL22129125 0.69 P2RX4 (0.41) P2RX4ALDH1A1CYP2A6KDM4E
SCHEMBL4633656 0.69 SLC1A3 (0.45) P2RX4MEN1KMT2AALDH1A1HSD17B10

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