SCHEMBL22809447

SCHEMBL22809447

c1ccc(C2CC2)c(-c2nccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
PDK2 Q15119 3/20 0.41
CYP2A6 P11509 1/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL31668466 0.90 CREBBP (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29986041 0.81 BCHE (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL158912 0.81 BCHE (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL21779721 0.80 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL23839442 0.80 MAPT (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL16904292 0.80 KDM4E (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31011155 0.79 BCHE (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30332586 0.79 BCHE (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL20237396 0.79 BCHE (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30332338 0.79 BCHE (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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-3235891-B1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed