SCHEMBL24550588

SCHEMBL24550588

Clc1ccc2c(c1)oc1cc3nc(-c4ccccc4)oc3cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ CASP3 P42574 4/20 0.67
▸ SENP7 Q9BQF6 4/20 0.67
▸ SENP6 Q9GZR1 3/20 0.67
▸ AHR P35869 1/20 0.51
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ HPGD P15428 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ SENP8 Q96LD8 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL24550527 0.97 SMN1; SMN2 (0.63) SMN1; SMN2CASP3SENP7SENP6AHR
SCHEMBL24552257 0.94 SMN1; SMN2 (0.67) SMN1; SMN2CASP3SENP7SENP6AHR
SCHEMBL24550784 0.92 SMN1; SMN2 (0.71) SMN1; SMN2CASP3SENP7SENP6AHR
SCHEMBL24551507 0.86 SMN1; SMN2 (0.71) SMN1; SMN2CASP3SENP7SENP6AHR
SCHEMBL27107585 0.86 SMN1; SMN2 (0.59) SMN1; SMN2CASP3SENP7SENP6AHR
SCHEMBL24550880 0.84 SMN1; SMN2 (0.68) SMN1; SMN2CASP3SENP7SENP6AHR
SCHEMBL2242624 0.84 SMN1; SMN2 (0.76) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL30399152 0.83 SMN1; SMN2 (0.67) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL29023860 0.83 SMN1; SMN2 (0.67) SMN1; SMN2CASP3SENP7SENP6NPC1
SCHEMBL26450335 0.82 ESR1 (0.54) SMN1; SMN2CASP3SENP7SENP6AHR

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-4258372-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-10-11 — — EP disclosed
WO-2022131869-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 — — WO disclosed
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