SCHEMBL31530823

SCHEMBL31530823

CCOC(=O)c1cc2c(OCc3ccccc3)cc(F)cc2[nH]1.[N-]=[N+]=NC(=Cc1ccc(F)cc1OCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.40
▸ GABRA1 P14867 3/20 0.34
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA5 P31644 3/20 0.34
▸ GABRA3 P34903 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34
▸ GABRQ Q9UN88 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ MEN1 O00255 2/20 0.34

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
SCHEMBL27189535 0.83 SRD5A2 (0.53) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31295218 0.81 NR1H4 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL31530779 0.80 SRD5A2 (0.58) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3297410 0.73 SRD5A2 (0.55) SRD5A2IDO1TDO2KDM4ENPC1
SCHEMBL30024037 0.73 SRD5A2 (0.55) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4565770 0.73 SRD5A2 (0.55) SRD5A2IDO1TDO2KDM4ENPC1
SCHEMBL3043331 0.73 SRD5A2 (0.55) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL700753 0.72 SRD5A2 (0.73) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL26660706 0.71 RAB9A (0.49) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL27189570 0.71 SRD5A2 (0.70) SRD5A2IDO1TDO2MEN1KMT2A

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
CN-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 — — CN disclosed
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