SCHEMBL28965657

SCHEMBL28965657

COC(=O)N1C(=O)C(C)(C)c2c1ccc(NC(=O)OC(C)(C)C)c2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
CTRB1 P17538 1/20 0.35
P2RX7 Q99572 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
CASP1 P29466 1/20 0.33
CYP17A1 P05093 1/20 0.33
NR1I2 O75469 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
P2RX4 Q99571 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
KCNQ4 P56696 2/20 0.32
KCNQ5 Q9NR82 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL28965660 0.78 CA12 (0.38) RXFP1CA12CA1CA9RORC
SCHEMBL28965760 0.77 P2RX4 (0.38) P2RX4
SCHEMBL28965582 0.76 P2RX4 (0.37) P2RX4
SCHEMBL29075988 0.76 RECQL (0.40) P2RX7RXFP1P2RX4HPGD
Hydrochloric Acid SCHEMBL28965723 0.76 P2RX4 (0.37) P2RX4
SCHEMBL28965746 0.76 DDB1 (0.33) CASP1DDB1CRBN
SCHEMBL28965671 0.72 P2RX4 (0.44) P2RX4HPGD
SCHEMBL13587071 0.68 CA12 (0.42) ELANECTRB1BRD9CYP17A1RXFP1
SCHEMBL3041905 0.67 GAA (0.46) ELANECTRB1BRD9CYP17A1RXFP1
SCHEMBL27297 0.66 P2RX7 (0.48) P2RX7BRD9RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 CN disclosed
CN-116723843-A Pharmaceutical combination of SOS1 inhibitors for the treatment and/or prevention of cancer 鲁宾有限公司 2023-09-08 CN disclosed
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 CN disclosed