SCHEMBL172685

SCHEMBL172685

CC[C@H](C)NCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LTA4H P09960 1/20 0.41
CYP3A4 P08684 2/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14463410 1.00 MEN1 (0.47) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL10943350 0.85 SIGMAR1 (0.54) MEN1KMT2ASIGMAR1ALDH1A1LTA4H
SCHEMBL13995949 0.82 ALDH1A1 (0.62) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL10863319 0.82 MEN1 (0.46) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL13995887 0.82 ALDH1A1 (0.62) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL19091211 0.82 LMNA (0.49) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL104747 0.81 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL22456025 0.81 SIGMAR1 (0.49) MEN1KMT2ALMNAMAPK1SIGMAR1
SCHEMBL13520306 0.79 SIGMAR1 (0.48) SIGMAR1ALDH1A1LTA4HCYP3A4CYP2D6
SCHEMBL13675825 0.79 SIGMAR1 (0.70) LMNAMAPTMAPK1SIGMAR1LTA4H

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed