SCHEMBL18250331

SCHEMBL18250331

CCCCC(C)n1c(C(C)C)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.47
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR8 Q9NR97 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL18250301 0.91 LMNA (0.49) SMN1; SMN2LMNANPSR1TSHRMEN1
SCHEMBL26290413 0.84 KDM4E (0.57) SMN1; SMN2LMNANPSR1TSHRMEN1
SCHEMBL18250330 0.84 KDM4E (0.57) SMN1; SMN2LMNANPSR1TSHRMEN1
SCHEMBL18250756 0.84 TSHR (0.49) SMN1; SMN2LMNATSHRHTTKDM4E
SCHEMBL18250302 0.79 LMNA (0.47) SMN1; SMN2LMNANPSR1TSHRMEN1
SCHEMBL17904688 0.78 LMNA (0.51) SMN1; SMN2LMNANPSR1TSHRMEN1
SCHEMBL14048505 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TSHRHTTKDM4EALDH1A1
SCHEMBL10098954 0.77 LMNA (0.66) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL20206668 0.75 ALDH1A1 (0.53) SMN1; SMN2LMNAUSP2NPSR1MEN1
SCHEMBL18250699 0.74 TSHR (0.51) SMN1; SMN2LMNATSHRKMT2AHTT

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-9499529-B2 Therapeutic uses of curcumin analogs for treatment of prostate cancer CALIFORNIA STATE UNIVERSITY, FRESNO (US) 2016-11-22 US disclosed