SCHEMBL11275892

SCHEMBL11275892

Cc1nc(N2C[C@H](C)C[C@H](C)C2)c(C(=O)O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
NPY5R Q15761 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
RBP4 P02753 1/20 0.35
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11277095 0.84 SCN10A (0.41) LMNAPOLBNPY5RTSHRGAA
SCHEMBL11273173 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL10924538 0.75 LMNA (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL11280244 0.71 OPRK1 (0.43) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL30468364 0.70 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL20472500 0.70 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL31374761 0.70 HSD17B10 (0.40) ALDH1A1KMT2AMEN1TSHRRXFP1
SCHEMBL2437655 0.68 AKR1C4 (0.41) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL30483667 0.68 AKR1C4 (0.41) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL10926941 0.68 KMT2A (0.70) MAPTALDH1A1KMT2AMEN1LMNA

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