SCHEMBL25000877

SCHEMBL25000877

CC(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ PTGES2 Q9H7Z7 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ DNMT1 P26358 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ GBA1 P04062 1/20 0.34

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
SCHEMBL23604787 0.88 ABCG2 (0.47) ABCG2TP53SMN1; SMN2DNMT1MEN1
SCHEMBL25998052 0.86 ABCG2 (0.37) ABCG2PTGES2TP53DNMT1RAB9A
SCHEMBL12033588 0.85 ABCG2 (0.42) ABCG2TP53SMN1; SMN2DNMT1MEN1
SCHEMBL25000880 0.84 ABCG2 (0.47) ABCG2TP53SMN1; SMN2DNMT1MEN1
SCHEMBL24050258 0.83 ABCG2 (0.39) ABCG2TP53SMN1; SMN2DNMT1MEN1
SCHEMBL22039221 0.83 ABCG2 (0.40) ABCG2TP53SMN1; SMN2DNMT1MEN1
SCHEMBL21515579 0.82 ABCG2 (0.41) ABCG2TP53SMN1; SMN2MEN1RAB9A
SCHEMBL12033743 0.82 ABCG2 (0.41) ABCG2TP53SMN1; SMN2MEN1RAB9A
SCHEMBL17691596 0.81 ABCG2 (0.40) ABCG2TP53SMN1; SMN2MEN1RAB9A
SCHEMBL12093020 0.81 ABCG2 (0.40) ABCG2TP53SMN1; SMN2DNMT1MEN1

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
US-20230145235-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-11 — — US disclosed
US-20230145235-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-11 — — US disclosed
EP-4130192-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-02-08 — — EP disclosed
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