SCHEMBL8173186

SCHEMBL8173186

O=C(NNC(C1CC1)C1CC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CTDSP1 Q9GZU7 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ PIN1 Q13526 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL8167085 0.82 EPHX2 (0.51) POLBKDM4ECTDSP1NPC1RAB9A
SCHEMBL20583499 0.78 RAB9A (0.46) POLBKDM4ECTDSP1NPC1RAB9A
SCHEMBL7761517 0.77 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8174021 0.77 MEN1 (0.53) POLBKDM4ENPC1RAB9AHDAC6
SCHEMBL8180307 0.77 LMNA (0.50) NPC1RAB9APTGS2MEN1KMT2A
SCHEMBL20583592 0.75 RAB9A (0.44) POLBKDM4ECTDSP1NPC1RAB9A
SCHEMBL400890 0.75 RAB9A (0.77) POLBKDM4ECTDSP1NPC1RAB9A
SCHEMBL29268969 0.75 NPC1 (0.55) POLBKDM4ECTDSP1NPC1RAB9A
SCHEMBL5394237 0.75 PTGS2 (0.67) POLBKDM4ECTDSP1NPC1RAB9A
SCHEMBL20583729 0.74 RAB9A (0.46) POLBKDM4ECTDSP1NPC1RAB9A

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-6013836-A PARTICULARLY ACTIVE AGAINST MOTHS AND BEETLES AND THEIR INSECT GROWTH REGULATING ACTIVITY WITHOUT ADVERSE IMPACT ON BENEFICIAL INSECTS; CROPS; FORESTRY ROHM AND HAAS COMPANY (US) 2000-01-11 — — US disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 — — US disclosed
Send feedback