SCHEMBL25475487

SCHEMBL25475487

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c3nsnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ S1PR1 P21453 1/20 0.34
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL18040333 0.91 KIF11 (0.45) KIF11NPC1RAB9ATP53LMNA
SCHEMBL19033212 0.87 LMNA (0.36) LMNASMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL14682708 0.84 MAPT (0.32) KDM4EKMT2A
SCHEMBL27697517 0.82 KIF11 (0.38) KIF11NPC1RAB9ATP53LMNA
SCHEMBL22192933 0.81 — —
SCHEMBL14463577 0.81 KIF11 (0.37) KIF11NPC1RAB9ATP53LMNA
SCHEMBL13553389 0.81 KIF11 (0.37) KIF11NPC1RAB9ATP53LMNA
SCHEMBL19034482 0.80 RXRA (0.42) NR1H4AKR1C3AKR1C2
SCHEMBL12157078 0.80 MAPT (0.37) LMNASMN1; SMN2KDM4ETSHRHTT
SCHEMBL21364083 0.77 TSHR (0.38) KIF11NPC1RAB9ATP53LMNA

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
US-20230151270-A1 Aggregation-Induced Emission Polymer, Preparation Method and Application Thereof QINGDAO AGRICULTURAL UNIVERSITY (CN) 2023-05-18 — — US disclosed
US-20230151270-A1 Aggregation-Induced Emission Polymer, Preparation Method and Application Thereof QINGDAO AGRICULTURAL UNIVERSITY (CN) 2023-05-18 — — US disclosed
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