SCHEMBL24359704

SCHEMBL24359704

COCN(c1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.56
▸ CYP1A2 P05177 3/20 0.42
▸ PTK2 Q05397 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 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
SCHEMBL13371376 0.79 NCF1 (0.62) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL12383278 0.77 NCF1 (0.76) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL24359436 0.76 NCF1 (0.57) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL15886634 0.75 NCF1 (0.56) NCF1CYP1A2PTK2HIF1AHDAC3
SCHEMBL31019195 0.73 NCF1 (0.50) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL29946313 0.72 NCF1 (1.00) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL4263734 0.72 NCF1 (1.00) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL31650826 0.72 NCF1 (1.00) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL12014904 0.72 NCF1 (0.68) NCF1CYP1A2PTK2ALDH1A1HPGD
SCHEMBL4268344 0.72 NCF1 (0.62) NCF1CYP1A2PTK2HIF1ANOS2

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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