SCHEMBL29023865

SCHEMBL29023865

Clc1ccc2ccc3cc4oc(-c5ccccc5)nc4cc3c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.68
▸ CASP3 P42574 4/20 0.68
▸ SENP7 Q9BQF6 4/20 0.68
▸ SENP6 Q9GZR1 3/20 0.68
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ SENP8 Q96LD8 2/20 0.49
▸ PTPN2 P17706 3/20 0.47

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
SCHEMBL30398402 1.00 SMN1; SMN2 (0.68) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL29023860 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL30399152 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL24551507 0.84 SMN1; SMN2 (0.71) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL24550880 0.82 SMN1; SMN2 (0.68) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL24550784 0.82 SMN1; SMN2 (0.71) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL24552257 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL2242624 0.82 SMN1; SMN2 (0.76) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL30729297 0.82 SMN1; SMN2 (1.00) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL2141073 0.82 SMN1; SMN2 (1.00) SMN1; SMN2CASP3SENP7SENP6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861118-B Condensed ring compound and organic electroluminescent device thereof 湖北尚赛光电材料有限公司 2023-11-03 — — CN disclosed
CN-116283811-A Condensed ring compound and organic electroluminescent device thereof 湖北尚赛光电材料有限公司 2023-06-23 — — CN disclosed
CN-113861118-A Fused ring compound and organic electroluminescent device thereof 湖北尚赛光电材料有限公司 2021-12-31 — — CN disclosed
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