SCHEMBL21782582

SCHEMBL21782582

N=C(N)NCCCC(I)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OTC P00480 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ DDAH1 O94760 1/20 0.34
▸ ALB P02768 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ GSR P00390 1/20 0.31
▸ NPY4R P50391 3/20 0.30
▸ NPY1R P25929 2/20 0.30
▸ NPY2R P49146 2/20 0.30
▸ NPY5R Q15761 2/20 0.30
▸ RRM1 P23921 1/20 0.30
▸ C3AR1 Q16581 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
SCHEMBL6525840 0.81 ALOX15 (0.41) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL1118988 0.81 ALOX15 (0.41) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL21782630 0.81 GNAI3 (0.39) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL21782713 0.81 NPY4R (0.38) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL21782581 0.81 DPP7 (0.38) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL11229239 0.79 GPR84 (0.42) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL3351368 0.79 GPR84 (0.42) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2
Arginine SCHEMBL288132 0.79 OTC (0.56) ALOX15MEN1KMT2ACYP1A2OTC
Arginine SCHEMBL1790 0.79 OTC (0.56) ALOX15MEN1KMT2ACYP1A2OTC
Arginine SCHEMBL6374054 0.79 OTC (0.56) ALOX15MEN1KMT2ACYP1A2OTC

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
Send feedback