SCHEMBL22119754

SCHEMBL22119754

Cc1n[nH]cc1-c1ccc2nccc(C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP19A1 P11511 1/20 0.44
CAMKK2 Q96RR4 3/20 0.41
CAMKK1 Q8N5S9 2/20 0.41
ACVR1 Q04771 2/20 0.40
KDM4E B2RXH2 1/20 0.40
IL1B P01584 1/20 0.40
KDM5A P29375 8/20 0.40
KDM5B Q9UGL1 8/20 0.40
KDM4C Q9H3R0 5/20 0.40
KDM4A O75164 1/20 0.38
DHODH Q02127 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL30604222 0.80 DHODH (0.58) LMNACYP19A1CAMKK2CAMKK1ACVR1
SCHEMBL24532382 0.80 DHODH (0.58) LMNACYP19A1CAMKK2CAMKK1ACVR1
SCHEMBL3850885 0.79 TLR8 (0.46) ACVR1DYRK1B
SCHEMBL24532563 0.77 LMNA (0.49) LMNACYP19A1CAMKK2CAMKK1ACVR1
SCHEMBL30604126 0.77 LMNA (0.49) LMNACYP19A1CAMKK2CAMKK1ACVR1
SCHEMBL3852053 0.76 ACVR1 (0.44) ACVR1DYRK1B
SCHEMBL3852118 0.74 DPP4 (0.41)
SCHEMBL22119808 0.74 KDM4E (0.53) LMNACAMKK2CAMKK1ACVR1KDM4E
Hydrochloric Acid SCHEMBL3846129 0.74 TDO2 (0.42) ACVR1
SCHEMBL3854528 0.74 DPP4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898654-A2 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2021-10-27 EP disclosed
WO-2020132661-A2 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2020-06-25 WO disclosed