SCHEMBL9493033

SCHEMBL9493033

O=C(OC1=NCCN1)c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GPR6 P46095 2/20 0.43
SLC9A1 P19634 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
DYRK1A Q13627 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL9491858 0.77 ALDH1A1 (0.55) L3MBTL1CNR1ALDH1A1LMNAHPGD
SCHEMBL9208032 0.73 CYP3A4 (0.47) HDAC6CYP2D6KDM4EALDH1A1LMNA
SCHEMBL8953418 0.73 KDM4E (0.50) HRH4L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL9493151 0.73 TP53 (0.40) KDM4EALDH1A1LMNAHPGDTDP1
SCHEMBL9491122 0.73 MAPT (0.51) L3MBTL1CYP2D6CASP3SENP7KDM4E
SCHEMBL8822497 0.71 KDM4E (0.48) HDAC8L3MBTL1CNR2CYP2D6KDM4E
SCHEMBL9310330 0.70 CYP1A2 (0.48) ALDH1A1HPGD
SCHEMBL10472882 0.70 KDM4E (0.47) L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL30416195 0.70 BCL2L1 (0.54) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29065460 0.70 BCL2L1 (0.54) BCL2L1HDAC3HDAC4HDAC1HDAC7

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-5180419-A Herbicidal 2-(2-imidazolin-2-yl)-benzo-(5-membered)-heterocycles and the use thereof AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed