SCHEMBL21941883

SCHEMBL21941883

c1ccc(-c2nc(-c3nc4ccccc4nc3-c3ccccc3)nc(-n3c4cc5sc6c7ccccc7ccc6c5cc4c4c5ccccc5ccc43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21941536 0.83 CYP1A1 (0.35) CYP1A1CYP1B1MEN1KMT2ALMNA
SCHEMBL19636379 0.82 CYP1A1 (0.39) CYP1A1CYP1B1NPC1LMNAMAPT
SCHEMBL19831775 0.82 CYP1A1 (0.36) CYP1A1CYP1B1
SCHEMBL19832028 0.80 CYP1A1 (0.34) CYP1A1CYP1B1
SCHEMBL18121128 0.80 CYP1A1 (0.32) CYP1A1CYP1B1NPC1LMNAMAPT
SCHEMBL17991030 0.79 ALDH1A1 (0.41) CYP1A1CYP1B1MEN1KMT2AATM
SCHEMBL19573561 0.78 CYP1A1 (0.38) CYP1A1CYP1B1NPC1LMNAMAPT
SCHEMBL19831829 0.78 CYP1A1 (0.34) CYP1A1CYP1B1MAPT
SCHEMBL16870688 0.78 LMNA (0.33) MEN1KMT2ALMNA
SCHEMBL22277064 0.77 CASP1 (0.34)

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
WO-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed