SCHEMBL8720813

SCHEMBL8720813

NNc1ccc(-c2ccc(NN)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALOX5 P09917 1/20 0.30
MAPT P10636 1/20 0.30
AGTR1 P30556 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL5802562 0.91 HSD17B10 (0.37) PTGS2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1507897 0.91 ALDH1A1 (0.37) PTGS2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL28012606 0.85 ALDH1A1 (0.45) TDP1ALDH1A1HSD17B10MAPTAGTR1
SCHEMBL10461626 0.85 CYP1A2 (0.45) PTGS2LMNACYP1A2MAPTTDO2
SCHEMBL29215916 0.85 HSD17B10 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL27989312 0.82 TAAR1 (0.52)
SCHEMBL3267510 0.81 BACE1 (0.45) LMNATDP1ALDH1A1MAPT
SCHEMBL10463117 0.81 TP53 (0.38) LMNATDP1ALDH1A1MAPT
SCHEMBL28041316 0.79 CYP1A1 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL31265542 0.76 ALDH1A1 (0.45) PTGS2LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160302-B1 FERROELECTRIC LIQUID CRYSTAL CELL HITACHI, LTD. (JP) 1993-07-21 EP claimed
EP-0648796-B1 Solutions of polyimide-forming substances and their use SCHENECTADY INT INC (US) 1998-08-26 EP disclosed
EP-0160302-B1 FERROELECTRIC LIQUID CRYSTAL CELL HITACHI, LTD. (JP) 1993-07-21 EP disclosed
EP-0160302-A2 Ferroelectric liquid crystal cell HITACHI, LTD. (JP) 1985-11-06 EP disclosed