SCHEMBL28679875

SCHEMBL28679875

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RXRA P19793 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP19A1 P11511 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAP3K5 Q99683 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
SCHEMBL29365018 1.00 ABCG2 (0.44) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL22065079 0.99 ABCG2 (0.45) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL15910220 0.96 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL19735305 0.93 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL17328024 0.92 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL15910240 0.92 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12033743 0.92 ABCG2 (0.41) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL15910165 0.92 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL22065500 0.92 MEN1 (0.44) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL10316919 0.92 KDM4E (0.42) ABCG2TP53SMN1; SMN2RAB9AMEN1

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
CN-113980002-B Azacyclocarbazole compound and application thereof 广东工业大学 2022-09-27 — — CN disclosed
CN-113980002-A Azacyclocarbazole compound and application thereof 广东工业大学 2022-01-28 — — CN disclosed
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