SCHEMBL6281045

SCHEMBL6281045

Cc1ccc(-c2ccc(-n3cnc4ccccc43)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.66
FGFR1 P11362 3/20 0.63
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTK2B Q14289 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
THRB P10828 1/20 0.53
PPP1CA P62136 1/20 0.53

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
SCHEMBL10053918 0.95 HTT (0.72) HTTFGFR1SMN1; SMN2
SCHEMBL2531256 0.91 HTT (0.78) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL18731746 0.88 HTT (0.79) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL2641988 0.86 FGFR1 (0.59) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL30402227 0.86 HTT (0.88) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL3419279 0.86 HTT (0.88) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL4017733 0.83 HTT (0.60) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL157265 0.80 HTT (1.00) HTTFGFR1
Benzene SCHEMBL14876970 0.80 HTT (1.00) HTTFGFR1
SCHEMBL3789107 0.80 HPGD (0.55) HTTFGFR1

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-2005113704-A2 LUMINESCENT COMPOUNDS WITH CARBENE LIGANDS THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-12-01 WO disclosed