SCHEMBL31455702

SCHEMBL31455702

CC(C)(C)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
CA12 O43570 15/20 0.76
CA9 Q16790 15/20 0.76
CA1 P00915 6/20 0.76
CA2 P00918 3/20 0.64
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
ELANE P08246 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL10016579 1.00 KMT2A (1.00) KMT2ATDP1CA12CA9CA1
SCHEMBL31455616 0.84 CA12 (1.00) KMT2ATDP1CA12CA9CA1
SCHEMBL30527996 0.84 CA12 (1.00) KMT2ATDP1CA12CA9CA1
SCHEMBL1172438 0.84 CA12 (1.00) KMT2ATDP1CA12CA9CA1
SCHEMBL31455791 0.82 CA12 (1.00) KMT2ATDP1CA12CA9CA1
SCHEMBL31455622 0.81 CA12 (1.00) KMT2ATDP1CA12CA9CA1
SCHEMBL31455615 0.81 GAA (0.74) KMT2ATDP1CA12CA9CA1
SCHEMBL14265550 0.81 GAA (0.74) KMT2ATDP1CA12CA9CA1
SCHEMBL31455618 0.81 GAA (0.74) KMT2ATDP1CA12CA9CA1
SCHEMBL13606246 0.80 HDAC1 (0.73) KMT2ATDP1CA12CA9CA1

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
CN-119980266-A Method for electrochemical catalysis of direct amination reaction of aromatic alkane hydrocarbon bond 南京工业大学 2025-05-13 CN disclosed