SCHEMBL27435440

SCHEMBL27435440

CNC1(NC)CC(NC)(c2cc(Br)c(O)c(Br)c2)c2cc(Br)cc(Br)c2O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C1 Q04828 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL27436182 0.77 CYP3A4 (0.36) CYP3A4TSHRTDP1AKR1C1GABRA1
SCHEMBL27432828 0.74 CYP3A4 (0.38) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL6911938 0.72 CYP3A4 (0.39) CYP3A4TSHRTDP1AKR1C1GABRA1
SCHEMBL6905063 0.72 CYP3A4 (0.39) CYP3A4TSHRTDP1AKR1C1GABRA1
SCHEMBL27455755 0.69 ALOX15 (0.37)
SCHEMBL6913273 0.69 CYP3A4 (0.41) CYP3A4TSHRTDP1AKR1C1GABRA1
SCHEMBL27363589 0.67 DHFR (0.37) TDP1AKR1C1
SCHEMBL27486676 0.67 CYP3A4 (0.36) CYP3A4TSHRTDP1AKR1C1GABRA1
SCHEMBL7804096 0.61 ALOX15 (0.37)
SCHEMBL6911387 0.61 CYP3A4 (0.39) CYP3A4TSHRTDP1AKR1C1GABRA1

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
CN-1122350-A A polycarbonate resin composition GEN ELECTRIC (US) 1996-05-15 CN disclosed
CN-1122349-A A glass fiber-reinforced polycarbonate resin composition GEN ELECTRIC (US) 1996-05-15 CN disclosed