SCHEMBL10822142

SCHEMBL10822142

N#CCc1nc(C(=O)c2ccccc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
HPGD P15428 3/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 5/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
CNR2 P34972 1/20 0.40
ENPP2 Q13822 1/20 0.39
NPC1 O15118 3/20 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
SCHEMBL1808305 0.81 MMP1 (0.49) ALDH1A1KMT2AMAPTMEN1HDAC1
SCHEMBL21495016 0.74 ABL1 (0.50) ALDH1A1KMT2AMAPTMEN1HDAC1
SCHEMBL5100557 0.73 MAOA (0.49) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL1669181 0.73 KMT2A (0.52) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4455537 0.73 KMT2A (0.52) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL3829101 0.71 KMT2A (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4455543 0.71 KMT2A (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL13475954 0.71 TLR7 (0.53) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL2514264 0.71 RAB9A (0.56) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL1683594 0.70 HDAC1 (0.64) ALDH1A1KMT2AMAPTMEN1HPGD

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-4626543-A PARTICULARY MOTHS SHELL OIL COMPANY (US) 1986-12-02 US disclosed