SCHEMBL25517263

SCHEMBL25517263

C1=CC(c2ccccc2-c2ccncc2)=CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ADRA2A P08913 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 2/20 0.34
IMPDH2 P12268 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK1 P06493 2/20 0.33
CDK2 P24941 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
PIK3CD O00329 1/20 0.33
AURKA O14965 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
SCHEMBL21338024 0.85 ALDH1A1 (0.35) ALDH1A1HSD17B10MAPK1CHRNB2
SCHEMBL16407653 0.81 MAPT (0.42) NOTUMMAPTSMN1; SMN2TP53LMNA
SCHEMBL30708901 0.74 NOTUM (0.63) NOTUMMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL4032281 0.74 NOTUM (0.63) NOTUMMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL24254883 0.72 MEN1 (0.39) MAPTALDH1A1HSD17B10KCNH2
SCHEMBL1947212 0.72 NOTUM (0.60) NOTUMMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL12853983 0.72 NOTUM (0.60) NOTUMMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL26028481 0.71 ALDH1A1 (0.38) ALDH1A1MAPK1LMNA
SCHEMBL18900385 0.71 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL22893131 0.71 GPR55 (0.38) MAPTALDH1A1SMN1; SMN2TSHRHTT

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-2023085046-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING ELEMENT, DISPLAY DEVICE, PHOTOELECTRIC CONVERSION DEVICE, ELECTRONIC APPARATUS, ILLUMINATION DEVICE, MOVABLE BODY, AND EXPOSURE LIGHT SOURCE キヤノン株式会社 2023-05-19 WO disclosed