SCHEMBL18542004

SCHEMBL18542004

CC(=O)Nc1nnc(Cc2cc(F)ccc2F)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.47
DYRK1A Q13627 2/20 0.47
PDPK1 O15530 1/20 0.47
GLS O94925 1/20 0.47

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
SCHEMBL24846085 0.88 TSHR (0.57) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL24846592 0.79 KMT2A (0.45) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL24846593 0.78 KMT2A (0.45) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL18542001 0.75 RAB9A (0.43) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL18542002 0.75 MEN1 (0.38) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL18542085 0.74 MAPT (0.67) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL18541999 0.71 GLA (0.38) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL12793836 0.71 RXFP1 (0.77) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL24846070 0.70 TSHR (0.61) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24846080 0.70 TSHR (0.57) TSHRMEN1KMT2AALDH1A1RAB9A

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
WO-2017029498-A1 2-SULFONYLPYRIMIDINES MEDICAL RESEARCH COUNCIL (GB) 2017-02-23 WO disclosed