SCHEMBL25472802

SCHEMBL25472802

Cc1ccc(-c2ccc3c(c2)CN(c2ccc(-c4ccccc4)cc2)c2cc(-c4ccc(C)cc4C)ccc2-3)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ SRD5A1 P18405 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL3433776 0.74 NPC1 (0.38) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL26530014 0.72 ESR2 (0.38) MAPTSMN1; SMN2ESR2HTTTP53
SCHEMBL1480001 0.70 MAPT (0.43) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL1480687 0.69 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL3430236 0.69 MAPT (0.37) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL3285155 0.69 ESR2 (0.63) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL3430269 0.69 SMN1; SMN2 (0.55) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL11965829 0.68 SMN1; SMN2 (0.66) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL14933579 0.68 SLC11A2 (0.35) SRD5A1
SCHEMBL12036710 0.67 PDE6D (0.39) NPC1RAB9AMAPTSMN1; SMN2NFKB1

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
WO-2023085170-A1 COMPOSITION, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 三菱ケミカル株式会社 2023-05-19 — — WO disclosed
WO-2023085171-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-05-19 — — WO disclosed
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