SCHEMBL28293590

SCHEMBL28293590

ClC1=Nc2ccccc2CN1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
CTSD P07339 1/20 0.41
ACHE P22303 6/20 0.40
BCHE P06276 3/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCR3 P51677 2/20 0.37

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
SCHEMBL10620662 0.79 SIGMAR1 (0.67) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL19050476 0.79 SIGMAR1 (0.67) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL6258947 0.77 SIGMAR1 (0.65) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7114310 0.76 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
Formaldehyde SCHEMBL28819216 0.75 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL28561721 0.71 SIGMAR1 (0.56) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL12073546 0.70 SIGMAR1 (0.55) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL6040419 0.70 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL28854194 0.68 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9539377 0.68 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2LMNANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056468-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-01 CN disclosed
CN-113056468-A Compound and organic light emitting device including the same 株式会社LG化学 2021-06-29 CN disclosed
CN-113056471-A Compound and organic light emitting diode comprising same 株式会社LG化学 2021-06-29 CN disclosed
CN-109790455-A organic electroluminescent compounds and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2019-05-21 CN disclosed