SCHEMBL8419702

SCHEMBL8419702

Cc1ccc(F)cc1NC([NH])=S

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 5/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ESR1 P03372 1/20 0.42
TSHR P16473 1/20 0.40

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
SCHEMBL20560206 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6835277 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL19456057 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL8784768 0.78 MAPT (0.47) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL8423522 0.78 GAA (0.65) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL6099387 0.76 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1GAAHTT
SCHEMBL1887376 0.76 KMT2A (0.59) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL20560676 0.74 MAPT (0.54) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL12139518 0.74 MAPT (0.47) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL2755845 0.74 MAPT (0.54) ALDH1A1KMT2AMEN1GAAMAPT

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-5877324-A ANTICHOLESTEROL AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-02 US disclosed