SCHEMBL8843536

SCHEMBL8843536

O=C(CCc1nnn[nH]1)NNCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALPL P05186 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 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
SCHEMBL8843465 0.93 ALDH1A1 (0.40) HDAC3ALDH1A1KMT2AHDAC2MEN1
SCHEMBL16742500 0.78 CYP1A2 (0.53) ALDH1A1TDP1KMT2ACYP3A4CYP2C19
SCHEMBL8843835 0.78 ALDH1A1 (0.66) HDAC3ALDH1A1KMT2AHDAC2HDAC8
SCHEMBL8843218 0.78 STING1 (0.39) TDP1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL8523258 0.77 MEN1 (0.62) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11293971 0.74 HPGD (0.51) ALDH1A1TDP1KMT2ACYP2C19MEN1
SCHEMBL18956292 0.74 TRPV1 (0.56) HDAC3ALDH1A1KMT2AL3MBTL1HDAC2
SCHEMBL23782476 0.73 GAA (0.53) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL8044468 0.73 TDP1 (0.46) HDAC3ALDH1A1TDP1KMT2ACYP3A4
SCHEMBL18956278 0.73 MEN1 (0.52) KMT2AHDAC2MEN1TSHRGAA

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed