SCHEMBL10005377

SCHEMBL10005377

BN(c1ccc2ccccc2n1)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
SCHEMBL12383278 0.77 NCF1 (0.76) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL31650826 0.77 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL4263734 0.77 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL29946313 0.77 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL27879043 0.77 NCF1 (0.63) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL27879098 0.77 NCF1 (0.63) NCF1CYP1A2NOS2BACE1CA12
Water SCHEMBL27895885 0.76 NCF1 (0.61) NCF1CYP1A2NOS2BACE1CA12
Water SCHEMBL27895825 0.76 NCF1 (0.61) NCF1CYP1A2NOS2BACE1CA12
Water SCHEMBL27879054 0.76 NCF1 (0.61) 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
US-8097361-B2 Nanotube wiring DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-17 — — US disclosed
US-20100068621-A1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC 2010-03-18 — — US disclosed
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