SCHEMBL10698636

SCHEMBL10698636

[C](=C/c1ccccc1)\c1ccccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.39
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.36
NR3C1 P04150 9/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL9126738 1.00 G6PC1 (0.39) G6PC1TSHRCYP2C19NR3C1PGR
SCHEMBL8936620 0.81 TSHR (0.34) TSHRKDM4EALDH1A1
SCHEMBL8936618 0.81 TSHR (0.34) TSHRKDM4EALDH1A1
SCHEMBL9126613 0.75 RELA (0.38) TSHRKDM4ELMNAALDH1A1
SCHEMBL10700066 0.75 RELA (0.38) TSHRKDM4ELMNAALDH1A1
SCHEMBL7148219 0.73 TSHR (0.54) TSHRCYP2C19NR3C1PGRNR3C2
SCHEMBL7664740 0.69 ALDH1A1 (0.54) G6PC1TSHRLMNACYP3A4ALDH1A1
SCHEMBL10697547 0.66 TSHR (0.32) TSHRAR
SCHEMBL10697542 0.66 TSHR (0.32) TSHRAR
SCHEMBL7651498 0.65 TSHR (0.45) TSHRCYP2C19NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264274-A2 Optical recording medium CANON KABUSHIKI KAISHA (JP) 1988-04-20 EP disclosed