SCHEMBL8771435

SCHEMBL8771435

CCc1cc(Cc2ccc(N)cc2)ccc1Cc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2CC)cc1.Cc1cc(Cc2ccc(N)cc2)ccc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
HTR2A P28223 1/20 0.39
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36

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
SCHEMBL8100748 0.94 DHFR (0.46) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8091982 0.94 DHFR (0.46) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8100926 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8085562 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8085205 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8099912 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8095623 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8765081 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8093378 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL8099667 0.86 CYP3A4 (0.54) DHFRALDH1A1CYP3A4TSHRTDP1

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
EP-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 EP disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 WO disclosed