SCHEMBL8925852

SCHEMBL8925852

Cc1ccc(CNC2C=CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
SSTR3 P32745 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.37
HDAC1 Q13547 1/20 0.37
ALPL P05186 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL9460225 0.90 ACHE (0.46) ACHEBACE1SMN1; SMN2HPGDRAB9A
SCHEMBL9460281 0.84 POLB (0.58) ACHEBACE1SMN1; SMN2RAB9AHRH3
SCHEMBL9460128 0.84 HRH3 (0.41) ACHEBACE1RAB9AHRH3POLB
SCHEMBL8926256 0.83 GRIN2B (0.49) ACHEBACE1HPGDRAB9AHRH3
SCHEMBL9460505 0.79 POLB (0.61) ACHEBACE1SMN1; SMN2RAB9AHRH3
SCHEMBL11434269 0.75 HRH3 (0.69) ACHEBACE1SMN1; SMN2HPGDRAB9A
SCHEMBL2731922 0.75 ACHE (0.61) ACHEBACE1SMN1; SMN2HPGDRAB9A
SCHEMBL6543104 0.75 RAB9A (0.43) SMN1; SMN2HPGDRAB9APOLB
SCHEMBL5864236 0.74 HRH3 (0.72) ACHEBACE1SMN1; SMN2HPGDRAB9A
SCHEMBL9460694 0.73 KDM1A (0.43) ACHEBACE1RAB9AHRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5237100-A Fungicide intermediates NIHON BAYER AGROCHEM K.K. (JP) 1993-08-17 US claimed
US-5622916-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5270340-A Substituted 2-cyclohexen-1-yl-amine fungicidal and herbicidal agents BAYER AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed
US-5237100-A Fungicide intermediates NIHON BAYER AGROCHEM K.K. (JP) 1993-08-17 US disclosed
US-4857556-A FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-08-15 US disclosed