SCHEMBL11273173

SCHEMBL11273173

Cc1nc(N2CCCCC2)c(C(=O)O)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SCN10A Q9Y5Y9 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRK1 P41145 1/20 0.41
JAK2 O60674 1/20 0.41
DHODH Q02127 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
CNR2 P34972 1/20 0.40
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FABP3 P05413 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL11278172 0.82 CNR2 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL23779608 0.82 CNR2 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL23779674 0.82 HSD17B10 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL11275892 0.79 MAPT (0.38) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL11483862 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL23779519 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL23779571 0.74 JAK2 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL6646384 0.74 SCN10A (0.51) ALDH1A1KDM4EMEN1KMT2ASCN10A
SCHEMBL23779540 0.74 SCN10A (0.51) ALDH1A1KDM4EMEN1KMT2ASCN10A
SCHEMBL30468364 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AHPGD

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-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP disclosed