SCHEMBL9874113

SCHEMBL9874113

Nc1nc2c(s1)CC(C(=O)N1CC=C(c3ccccc3)CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 7/20 0.47
ALOX15 P16050 4/20 0.46
USP2 O75604 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL9874662 0.86 SCN3A (0.39) TSHRMAPTGAAHTTMAPK1
SCHEMBL9874743 0.78 LMNA (0.51) TSHRMAPTGAAHTTMAPK1
SCHEMBL8683970 0.77 ALDH1A1 (0.56) TSHRMAPTGAAMAPK1ALDH1A1
SCHEMBL8683966 0.77 ALDH1A1 (0.56) TSHRMAPTGAAMAPK1ALDH1A1
SCHEMBL9873593 0.76 DRD2 (0.57) TSHRMAPTGAAHTTMAPK1
SCHEMBL9873677 0.76 KDM4E (0.47) TSHRMAPTGAAHTTMAPK1
SCHEMBL9872533 0.74 DRD2 (0.49) TSHRMAPTGAAHTTMAPK1
SCHEMBL9873084 0.73 PDK1 (0.66) TSHRMAPTGAAHTTMAPK1
SCHEMBL18901617 0.72 ALDH1A1 (0.55) TSHRMAPTGAAHTTMAPK1
SCHEMBL9875015 0.69 DRD2 (0.57) TSHRMAPTGAAHTTMAPK1

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
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed