SCHEMBL9830862

SCHEMBL9830862

O=C(Nc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nnn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TLR7 Q9NYK1 1/20 0.50
IDE P14735 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIM1 P11309 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
IL2 P60568 1/20 0.40
EIF4E P06730 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CFTR P13569 1/20 0.39
MPL P40238 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL9832511 0.84 CDK5 (0.55) ALDH1A1IDEKDM4ESMN1; SMN2CDK5
SCHEMBL9830880 0.83 CDK5 (0.52) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL9830869 0.81 ROCK1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9823502 0.80 TLR7 (0.65) ALDH1A1TLR7IDEMAPK1MAPK10
SCHEMBL9830713 0.78 HDAC6 (0.52) TLR7MAPK1
SCHEMBL9830549 0.78 TP53 (0.45) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL9829838 0.78 RAB9A (0.49) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL9829826 0.77 RAB9A (0.49) ALDH1A1TLR7KDM4ESMN1; SMN2LMNA
SCHEMBL9830487 0.76 RAB9A (0.48) ALDH1A1TLR7KDM4ESMN1; SMN2LMNA
SCHEMBL9832310 0.75 MAPT (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed