SCHEMBL27879043

SCHEMBL27879043

IN(I)c1ccc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.63
▸ CYP1A2 P05177 4/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ MGAM O43451 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ AR P10275 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39

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
SCHEMBL12014904 0.81 NCF1 (0.68) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL31650826 0.77 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL4263734 0.77 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL10005377 0.77 NCF1 (0.63) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL12383278 0.77 NCF1 (0.76) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL29946313 0.77 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL3644084 0.74 NCF1 (0.70) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL16484770 0.74 NCF1 (0.59) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL4574521 0.74 NCF1 (0.59) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL7615810 0.74 NCF1 (0.49) NCF1CYP1A2NOS2BACE1CA12

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-103002900-A Transcription factor decoys PROCARTA BIOSYSTEMS LTD 2013-03-27 — — CN disclosed
CN-102791295-A Nucleic acid complexes PROCARTA BIOSYSTEMS LTD 2012-11-21 — — CN disclosed
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