SCHEMBL9862882

SCHEMBL9862882

Cc1cc(CCCCCOc2ccc(C3=NCCO3)c(O)c2C)on1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 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
SCHEMBL9862959 0.91 MEN1 (0.36) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9862965 0.85 MEN1 (0.34) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9863006 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9863211 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9668441 0.81 NPC1 (0.36) MEN1KMT2ANR1I2CYP3A4CYP2D6
SCHEMBL9862950 0.81 NPC1 (0.36) MEN1KMT2ANR1I2CYP3A4CYP2D6
SCHEMBL9705703 0.81 SCARB1 (0.39) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9667787 0.81 SCARB1 (0.39) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9862855 0.80 SCARB1 (0.35) ALDH1A1MEN1KMT2ANR1I2CYP3A4
SCHEMBL9863182 0.79 SCARB1 (0.36) ALDH1A1MEN1KMT2ANR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed