SCHEMBL8468871

SCHEMBL8468871

OC1OOc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
GUSB P08236 4/20 0.34
CYP2C9 P11712 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL3075879 0.77 MAOA (0.42) MAOAMAOBATMHDAC3HDAC4
SCHEMBL29236907 0.75
SCHEMBL3205774 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL329531 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL446184 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL3195757 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL329445 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL6678434 0.71 MAOA (0.38) MAOAMAOBATMHDAC3HDAC4
SCHEMBL4333279 0.71 MAOA (0.39) MAOAMAOBATMHDAC3HDAC4
SCHEMBL29050090 0.70 CYP2C9 (0.41) MAOAMAOBATMHDAC3HDAC4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534682-A Monofunctional bio-based benzoxazine monomer with multi-benzodioxole structure and resin 江苏大学 2024-02-09 CN claimed
CN-106572659-A Noxious arthropod control agent containing amide compound 住友化学株式会社 2017-04-19 CN claimed
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP claimed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO claimed
US-4221718-A Process for preparing bendiocarb of crystalline form A FISONS LIMITED (GB) 1980-09-09 US claimed
CN-117534682-A Monofunctional bio-based benzoxazine monomer with multi-benzodioxole structure and resin 江苏大学 2024-02-09 CN disclosed
CN-117534682-A Monofunctional bio-based benzoxazine monomer with multi-benzodioxole structure and resin 江苏大学 2024-02-09 CN disclosed
CN-106659161-A Amide compound and use of same for noxious arthropod control 住友化学株式会社 2017-05-10 CN disclosed
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed
US-4221718-A Process for preparing bendiocarb of crystalline form A FISONS LIMITED (GB) 1980-09-09 US disclosed
US-4212883-A HERBICIDE, INSECTICIDE, ACARICIDE, NEMATOCIDE, FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed
US-4171372-A INSECTICIDES, MITICIDES FISONS LIMITED (GB) 1979-10-16 US disclosed
US-4113876-A INSECTICIDES, FUNGICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 US disclosed