SCHEMBL30012631

SCHEMBL30012631

O=P(c1ccccc1)(N1CCNCC1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.45
▸ ADRB1 P08588 3/20 0.45
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR6 P50406 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR5A P47898 1/20 0.38
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL6161536 0.84 SIGMAR1 (0.45) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL31505112 0.79 HTT (0.47) USP2TSHRHSD17B10CA2CA4
Triphenylphosphine Oxide SCHEMBL7110277 0.73 LMNA (0.47) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL11556110 0.72 SIGMAR1 (0.41) SIGMAR1ADRB1HTR3EHTR3BHTR3A
Phenylphosphonic Acid SCHEMBL29009405 0.68 CA2 (0.73) SIGMAR1MEN1KMT2AUSP2ALDH1A1
SCHEMBL5543989 0.67 TSHR (0.45) USP2ALDH1A1TSHRCA2CA4
Piperazine SCHEMBL28087388 0.67 CA2 (0.39) SIGMAR1ADRB1HTR3EHTR3BHTR3A
Phenylpiperazine SCHEMBL28478038 0.67 ADRB1 (0.77) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL19392089 0.66 L3MBTL1 (0.40) MEN1KMT2APOLBALDH1A1TSHR
Phenylphosphonic Acid SCHEMBL27491287 0.65 CA2 (0.67) SIGMAR1MEN1KMT2AUSP2ALDH1A1

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-111606948-B Efficient phosphine-nitrogen flame retardant and preparation method and application thereof 东北林业大学 2022-10-25 — — CN claimed
CN-111606948-B Efficient phosphine-nitrogen flame retardant and preparation method and application thereof 东北林业大学 2022-10-25 — — CN disclosed
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