SCHEMBL24253781

SCHEMBL24253781

CCc1cc(O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.45
▸ EGFR P00533 1/20 0.43
▸ MIF P14174 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KCNQ4 P56696 3/20 0.40
▸ KCNQ5 Q9NR82 3/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTSL P07711 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
SCHEMBL17164920 0.85 EGFR (0.49) NQO2EGFRMIFKCNQ4KCNQ5
SCHEMBL24362149 0.84 HPGD (0.47) NQO2MIFRXFP1KCNQ4KCNQ5
SCHEMBL29618957 0.84 HPGD (0.47) NQO2MIFRXFP1KCNQ4KCNQ5
SCHEMBL21442757 0.84 KCNQ4 (0.49) RXFP1KCNQ4KCNQ5CNR2CYP1A2
SCHEMBL21734883 0.84 IDO1 (0.44) CYP2C9
SCHEMBL23093365 0.84 KCNQ4 (0.41) RXFP1KCNQ4KCNQ5CNR2CYP1A2
SCHEMBL12521472 0.84 MAPK1 (0.48) KCNQ4KCNQ5CNR2SMN1; SMN2
SCHEMBL24254051 0.82 ALDH1A1 (0.46) SMN1; SMN2
SCHEMBL29958958 0.81 SMN1; SMN2 (0.47) NQO2MIFRXFP1SMN1; SMN2POLB
SCHEMBL2770751 0.81 SMN1; SMN2 (0.47) NQO2MIFRXFP1SMN1; SMN2POLB

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
WO-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 — — WO disclosed
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