SCHEMBL20062910

SCHEMBL20062910

Cc1cc(N2C(=C3N(c4cc(C)nc(C)c4)c4ccccc4N3c3cc(C)nc(C)c3)N(c3cc(C)nc(C)c3)c3ccccc32)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
LOX P28300 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
NCF1 P14598 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
CYP2A6 P11509 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 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
SCHEMBL20071971 0.85 CYP1A2 (0.40) CYP1A2ALDH1A1NPC1TP53LOX
SCHEMBL20062913 0.83 GAA (0.36) CYP1A2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL20681871 0.81 TSHR (0.33) ALDH1A1KDM4EHPGDTSHR
SCHEMBL18905737 0.78 MAPT (0.45) ALDH1A1NPSR1HPGDL3MBTL1HTT
SCHEMBL20062912 0.78 LMNA (0.33) CYP1A2ALDH1A1NPC1TP53RAB9A
SCHEMBL20062907 0.77 ALDH1A1 (0.36) CYP1A2ALDH1A1NPC1RAB9ANPSR1
SCHEMBL20062915 0.75 HPGD (0.38) ALDH1A1NPC1TP53LOXRAB9A
SCHEMBL20062909 0.75 MAT2A (0.35) CYP1A2CYP2A6TSHRHTTLMNA
SCHEMBL18905646 0.73 MGLL (0.34) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL20681890 0.73 HCRTR1 (0.35) CYP1A2ALDH1A1NPSR1NCF1KDM4E

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