SCHEMBL15716618

SCHEMBL15716618

COCN(Cc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL2301182 0.87 LMNA (0.55) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL1386528 0.83 LMNA (0.57) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL967320 0.80 LMNA (0.70) LMNAALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL27708825 0.79 LMNA (0.68) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3920435 0.77 LMNA (0.56) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL27620333 0.77 KDM4E (0.54) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL1416041 0.77 LMNA (0.50) LMNAALDH1A1KDM4EMEN1KMT2A
Decane SCHEMBL9298496 0.76 LMNA (0.54) LMNAALDH1A1TSHRCA12
Hexadecane SCHEMBL9298501 0.76 LMNA (0.54) LMNAALDH1A1TSHRCA12
SCHEMBL17936653 0.75 LMNA (0.43) LMNAALDH1A1MEN1KMT2ANPSR1

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
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed