SCHEMBL18656862

SCHEMBL18656862

NN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.44
▸ LIMK1 P53667 2/20 0.43
▸ PIM3 Q86V86 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ F9 P00740 2/20 0.37
▸ PTPN7 P35236 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN12 Q05209 1/20 0.37
▸ PTPN22 Q9Y2R2 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL21763379 0.97 GPR3 (0.44) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL21787901 0.94 GPR3 (0.44) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL21763435 0.88 ALDH1A1 (0.49) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL74964 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL15413381 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL17412443 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL15964367 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL15964366 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL20466613 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1
SCHEMBL15413520 0.87 GPR3 (0.47) GPR3LIMK1PIM3MAPTALDH1A1

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
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 — — EP disclosed
EP-3144301-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT COMPRISING SAME AND DISPLAY DEVICE THEREOF Samsung SDI Co., Ltd. (KR) 2017-03-22 — — EP disclosed
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