SCHEMBL28803272

SCHEMBL28803272

NC(=O)O[C@@H](Cc1cccs1)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CFD P00746 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSC P53634 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
SCHEMBL28803202 1.00 HDAC8 (0.44) HDAC8TSHRHPGDSMN1; SMN2MAPT
SCHEMBL28803327 0.86 TSHR (0.41) HDAC8TSHRHPGDSMN1; SMN2MAPT
SCHEMBL19208384 0.85 HDAC8 (0.57) HDAC8HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL19208389 0.85 HDAC8 (0.57) HDAC8HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL28803370 0.84 CFD (0.44) CFDALDH1A1P2RX7
SCHEMBL28803369 0.84 CFD (0.44) CFDALDH1A1P2RX7
SCHEMBL28803298 0.83 CFD (0.48) TSHRCFDALDH1A1P2RX7NPC1
SCHEMBL28803299 0.83 CFD (0.48) TSHRCFDALDH1A1P2RX7NPC1
SCHEMBL28803389 0.81 CFD (0.44) TSHRCFDALDH1A1P2RX7
SCHEMBL28803203 0.81 CFD (0.46) TSHRHPGDCFDALDH1A1P2RX7

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
CN-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 — — CN disclosed
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 — — CN disclosed
Send feedback