SCHEMBL20062898

SCHEMBL20062898

CC(C)(C)c1ccc2c(c1)N(c1ccc(-c3ccccc3)nc1)/C(=C1\N(c3ccc(-c4ccccc4)nc3)c3ccc(C(C)(C)C)cc3N1c1ccc(-c3ccccc3)nc1)N2c1ccc(-c2ccccc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 1/20 0.35
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LDHA P00338 1/20 0.33
CYP3A4 P08684 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP3 P05413 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
POLB P06746 1/20 0.32
MCHR1 Q99705 1/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL20071890 0.82 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4LMNACYP11B1
SCHEMBL20062894 0.80 CA12 (0.35) NPSR1MEN1KMT2A
SCHEMBL18905680 0.79 TSHR (0.38) LMNAMAPTPOLB
SCHEMBL18905689 0.79 TSHR (0.38) LMNAMAPTPOLB
SCHEMBL20062937 0.76 ALDH1A1 (0.31)
SCHEMBL18905684 0.75 CA9 (0.39) LMNAMAPTMEN1KMT2A
SCHEMBL18905679 0.75 CA9 (0.39) LMNAMAPTMEN1KMT2A
SCHEMBL20062879 0.75 MEN1 (0.39) LMNAMAPTXBP1NPSR1MEN1
SCHEMBL20062895 0.74 ALDH1A1 (0.44) LMNAMAPTCYP3A4POLB
SCHEMBL12245311 0.74 LDHA (0.47) CHRNB2CHRNA7CHRNA4CYP11B1CYP11B2

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
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed