SCHEMBL11272701

SCHEMBL11272701

CCc1ccccc1POC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
IDO1 P14902 2/20 0.35
MGLL Q99685 1/20 0.35
CTSB P07858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.33
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL4455680 0.82 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL11230429 0.81 MAPT (0.40) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL1423121 0.77 GABRA1 (0.44) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL11250606 0.75 GABRA1 (0.42) GABRA1GABRB2L3MBTL1MAPTNPSR1
Hydrochloric Acid SCHEMBL2154393 0.75 GABRA1 (0.42) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL5813177 0.75 GABRA1 (0.42) GABRA1GABRB2L3MBTL1MAPTNPSR1
Hydrochloric Acid SCHEMBL28248435 0.75 GABRA1 (0.42) GABRA1GABRB2L3MBTL1MAPTNPSR1
Methoxymethane SCHEMBL27728603 0.73 GABRA1 (0.50) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL6442097 0.73 GABRA1 (0.46) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL3388879 0.73 GABRA1 (0.41) GABRA1GABRB2L3MBTL1MAPTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4330461-A FIREPROOFING POLYESTERS AND POLYAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-18 US disclosed
US-4234729-A FIREPROOFING POLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-11-18 US disclosed