SCHEMBL30990318

SCHEMBL30990318

O=CNCc1ncc(C(=O)O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ SLC22A12 Q96S37 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31719401 0.81 P2RY12 (0.44) —
SCHEMBL16722630 0.76 PLAU (0.36) PLAUALDH1A1MEN1KMT2A
SCHEMBL4707750 0.76 SLC22A12 (0.49) HCAR2NAPRTTTRTSHRPLAU
SCHEMBL18378990 0.73 TDP1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL3650691 0.72 PLAU (0.47) HCAR2NAPRTTTRTSHRPLAU
SCHEMBL29365646 0.69 HCAR2 (0.50) HCAR2NAPRTTTRTSHRALDH1A1
SCHEMBL232290 0.69 HCAR2 (0.50) HCAR2NAPRTTTRTSHRALDH1A1
SCHEMBL3650453 0.68 HCAR2 (0.48) HCAR2NAPRTTTRTSHRPLAU
Hydrochloric Acid SCHEMBL7476482 0.68 HCAR2 (0.48) HCAR2NAPRTTTRTSHRALDH1A1
SCHEMBL199221 0.68 TTR (0.54) HCAR2NAPRTTTRTSHRPLAU

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-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 — — WO disclosed
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