SCHEMBL6367627

SCHEMBL6367627

CC(c1ccc(C(C)(C)C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ABL1 P00519 2/20 0.52
▸ FABP6 P51161 1/20 0.52
▸ XIAP P98170 1/20 0.51
▸ SCN10A Q9Y5Y9 4/20 0.49
▸ MLKL Q8NB16 3/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL6511830 0.80 ALDH1A1 (0.67) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6367630 0.76 HDAC6 (0.59) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4181954 0.74 CHEK2 (0.68) ALDH1A1HPGDLMNAHTTMEN1
SCHEMBL12909208 0.72 ALDH1A1 (1.00) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL195282 0.71 SRD5A2 (0.77) ALDH1A1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL15294548 0.70 ALDH1A1 (0.52) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7406132 0.70 ALDH1A1 (0.46) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3388847 0.69 ALDH1A1 (0.65) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16134552 0.69 ABL1 (0.69) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3499235 0.69 ABL1 (1.00) POLBALDH1A1HPGDRAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050173678-A1 Surface treatment agents for metal films of printed circuit boards TAMURA KAKEN CORPORATION (JP) 2005-08-11 — — US disclosed
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