SCHEMBL9863003

SCHEMBL9863003

Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2N(C)C)on1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
LTA4H P09960 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL9705703 0.90 SCARB1 (0.39) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9667787 0.90 SCARB1 (0.39) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9863182 0.88 SCARB1 (0.36) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9667163 0.88 TDP1 (0.38) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9668137 0.88 SCARB1 (0.36) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9667970 0.88 DRD2 (0.39) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9666735 0.88 TDP1 (0.38) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9863055 0.88 SCARB1 (0.36) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9862948 0.88 SCARB1 (0.36) SCARB1KCNH2HRH3MEN1KMT2A
SCHEMBL9666672 0.88 SCARB1 (0.36) SCARB1KCNH2HRH3MEN1KMT2A

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