SCHEMBL9913015

SCHEMBL9913015

COc1cccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4n(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
NTRK2 Q16620 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
CNR2 P34972 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL9913011 0.98 PER2 (0.36) NTRK1IGF1RFGFR1NTRK2SMN1; SMN2
SCHEMBL9912977 0.91 KDM4E (0.38) NTRK1IGF1RFGFR1NTRK2SMN1; SMN2
SCHEMBL9912976 0.91 KDM4E (0.38) NTRK1IGF1RFGFR1NTRK2SMN1; SMN2
SCHEMBL9913017 0.90 L3MBTL1 (0.38) PER2CRY1CRY2KDM4EMAPT
SCHEMBL9913023 0.90 L3MBTL1 (0.38) PER2CRY1CRY2KDM4EMAPT
SCHEMBL9913019 0.90 NTRK1 (0.42) NTRK1IGF1RFGFR1NTRK2SMN1; SMN2
SCHEMBL9913021 0.89 MTNR1A (0.42) NTRK1IGF1RFGFR1NTRK2SMN1; SMN2
SCHEMBL9912996 0.89 L3MBTL1 (0.39) PER2CRY1CRY2KDM4EMAPT
SCHEMBL9913010 0.88 MTNR1A (0.43) NTRK1IGF1RFGFR1NTRK2SMN1; SMN2
SCHEMBL9913025 0.88 F2 (0.36) PER2CRY1CRY2KDM4EPMM2

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
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed