SCHEMBL6512547

SCHEMBL6512547

c1ccc(Cc2sc(Cc3ccccc3)c(Cc3ccccc3)c2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.52
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TYMP P19971 1/20 0.37
LTA4H P09960 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3954046 0.79 ALDH1A1 (0.44) CALM1ALDH1A1MAPTLMNAHPGD
SCHEMBL2820256 0.78 CALM1 (0.73) CALM1ALDH1A1MAPTHPGDALOX15
Diphenylmethane SCHEMBL14763944 0.71 CALM1 (1.00) CALM1ALDH1A1MAPTLMNAHPGD
Diphenylmethane SCHEMBL3792579 0.71 CALM1 (1.00) CALM1ALDH1A1MAPTLMNAHPGD
Diphenylmethane SCHEMBL4361124 0.71 CALM1 (1.00) CALM1ALDH1A1MAPTLMNAHPGD
Diphenylmethane SCHEMBL1303 0.71 CALM1 (1.00) CALM1ALDH1A1MAPTLMNAHPGD
Diphenylmethane SCHEMBL28172316 0.71 CALM1 (1.00) CALM1ALDH1A1MAPTLMNAHPGD
SCHEMBL1841464 0.70 CALM1 (0.61) CALM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4870533 0.70 LTA4H (0.41) CALM1ALDH1A1MAPTLMNAHPGD
SCHEMBL16672056 0.70 CALM1 (0.46) CALM1ALDH1A1MAPTLMNAHPGD

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-6899947-B2 Nanoparticle arrays and sensors using same PURDUE RESEARCH FOUNDATION (US) 2005-05-31 US disclosed
US-20040229039-A1 Encapsulated nanoparticles and method PURDUE RESEARCH FOUNDATION 2004-11-18 US disclosed
US-20030068496-A1 Nanoparticle arrays and sensors using same PURDUE RESEARCH FOUNDATION 2003-04-10 US disclosed