SCHEMBL31643673

SCHEMBL31643673

O=C(O)C1CC(Cc2ccncc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.47
▸ CYP11B2 P19099 1/20 0.44
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX7 Q99572 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
SCHEMBL7810455 0.83 GRIN2B (0.46) L3MBTL1
SCHEMBL13186436 0.79 S1PR1 (0.50) HTTALDH1A1
SCHEMBL11249449 0.76 GRIK1 (0.49) CYP19A1CYP11B2POLBHTTTDP1
SCHEMBL31080873 0.76 GRIK1 (0.49) CYP19A1CYP11B2POLBHTTTDP1
SCHEMBL11249450 0.76 GRIK1 (0.49) CYP19A1CYP11B2POLBHTTTDP1
SCHEMBL31080835 0.76 GRIK1 (0.49) CYP19A1CYP11B2POLBHTTTDP1
SCHEMBL1648478 0.75 MAPT (0.48) HSD17B10ALDH1A1L3MBTL1
SCHEMBL13008930 0.75 S1PR4 (0.45) —
SCHEMBL1000330 0.72 CYP19A1 (0.61) CYP19A1CYP11B2HSD17B10ALDH1A1
SCHEMBL31644205 0.72 AKR1C3 (0.52) CYP19A1HTTHSD17B10ALDH1A1

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-2025131049-A1 DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES AND USES THEREOF IGNIS THERAPEUTICS (SUZHOU) LIMITED (CN) 2025-06-26 — — WO disclosed
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