SCHEMBL12445832

SCHEMBL12445832

O=C(c1ccc(C#Cc2ccc(-c3ccccc3)cc2)cc1)c1ccc(C#Cc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
CDC25B P30305 1/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SRD5A2 P31213 1/20 0.50

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
SCHEMBL1744898 0.87 ALDH1A1 (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL232724 0.87 RAB9A (0.74) MAPTRAB9AMEN1KMT2ALMNA
Benzene SCHEMBL28384085 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
Benzophenone SCHEMBL28231198 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
Benzophenone SCHEMBL15567912 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL13534566 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL41657 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL28246134 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL29143580 0.84 RAB9A (0.78) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL26668399 0.82 MMP2 (0.55) MAPTRAB9AMEN1KMT2ALMNA

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
EP-1385637-B1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2011-08-24 EP disclosed