SCHEMBL21763435

SCHEMBL21763435

NN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)sc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GPR3 P46089 1/20 0.44
▸ LIMK1 P53667 2/20 0.40
▸ F9 P00740 3/20 0.36
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL21787901 0.91 GPR3 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18656862 0.88 GPR3 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21763379 0.84 GPR3 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL6372410 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19167039 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24612813 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17740676 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20441888 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18198864 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21282015 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; 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-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 — — EP disclosed
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