SCHEMBL24359436

SCHEMBL24359436

OCN(c1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.57
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ MGAM O43451 1/20 0.41
▸ PTK2 Q05397 1/20 0.41

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
SCHEMBL13371376 0.80 NCF1 (0.62) NCF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12014904 0.76 NCF1 (0.68) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL6602159 0.76 NCF1 (0.61) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL5943598 0.76 NCF1 (0.52) NCF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24359704 0.76 NCF1 (0.56) NCF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15886634 0.76 NCF1 (0.56) NCF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4574521 0.73 NCF1 (0.59) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL12383278 0.72 NCF1 (0.76) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL4263734 0.72 NCF1 (1.00) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL10005377 0.72 NCF1 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127533-A1 PHOSPHORUS NITROGEN FLAME RETARDANT, METHOD THEREOF AND MATERIAL COMPRISING THE SAME ZHOU CHONGFU (US) 2022-04-28 — — US disclosed
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