SCHEMBL7189604

SCHEMBL7189604

CCn1c(C)c(C(c2ccc(N(C)C)cc2C)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)OC)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
PTGER4 P35408 3/20 0.35
KDM4E B2RXH2 5/20 0.34
NPSR1 Q6W5P4 4/20 0.34
MAPK1 P28482 3/20 0.34

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
SCHEMBL7187904 0.84 NR4A2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7185303 0.82 PTGER4 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7181782 0.77 MAPT (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10693188 0.76 ALDH1A1 (0.39) KDM4ENPSR1MAPK1ALDH1A1MEN1
SCHEMBL7193629 0.76 KDM4E (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7193177 0.76 TSHR (0.39) KDM4ENPSR1MAPK1ALDH1A1MEN1
SCHEMBL7188094 0.74 SMN1; SMN2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7194548 0.74 MAPT (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7194341 0.74 KDM4E (0.37) KDM4ENPSR1MAPK1ALDH1A1MEN1
SCHEMBL5666758 0.72 CYP19A1 (0.42) KDM4ENPSR1MAPK1ALDH1A1MEN1

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-6586364-B2 Shell walls; liquid coloring PENTAX CORPORATION (JP) 2003-07-01 US disclosed
US-20020168580-A1 Heat-sensitive microcapsule and recording medium using same ASAHI KOGAKU KOGYO KABUSHIKI KAISHA 2002-11-14 US disclosed