SCHEMBL14253701

SCHEMBL14253701

CC(C)(C)C1=CC(=CN=C2C=CC(=Nc3ccc(C(C)(C)C)cc3)C=C2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ SLC22A2 O15244 1/20 0.30
▸ SLC22A1 O15245 1/20 0.30
▸ SLC22A3 O75751 1/20 0.30

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
SCHEMBL14253699 0.90 SMN1; SMN2 (0.35) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253718 0.88 SMN1; SMN2 (0.42) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253698 0.86 NPC1 (0.39) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253709 0.85 NOS1 (0.34) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253710 0.85 TYR (0.38) SMN1; SMN2KMT2AMPICA1CA2
SCHEMBL14253702 0.74 SMN1; SMN2 (0.37) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253696 0.74 SMN1; SMN2 (0.37) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL16675402 0.73 SMN1; SMN2 (0.57) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253722 0.72 NPC1 (0.36) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL14253723 0.72 PMM2 (0.40) SMN1; SMN2NPC1KMT2AATMGPR35

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-7341811-B2 Electrophotographic photoreceptor using the electron transferring compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-11 — — US disclosed
US-7341811-B2 Electrophotographic photoreceptor using the electron transferring compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-11 — — US disclosed
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