SCHEMBL30489013

SCHEMBL30489013

CC(C)(C)OC(=O)c1cccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GABRA1 P14867 6/20 0.40
GABRG2 P18507 6/20 0.40
GABRB3 P28472 6/20 0.40
GABRA3 P34903 6/20 0.40
GABRA2 P47869 6/20 0.40
GABRA5 P31644 5/20 0.40
GABRA6 Q16445 4/20 0.40
GABRA4 P48169 3/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRE P78334 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
AHR P35869 1/20 0.39

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
SCHEMBL27694230 1.00 P2RX7 (0.47) P2RX7KMT2AMEN1GABRA1GABRG2
SCHEMBL6602091 0.79 P2RX7 (0.56) P2RX7KMT2AMEN1GABRA1GABRG2
SCHEMBL5026814 0.79 P2RX7 (0.55) P2RX7KMT2AMEN1AHRFAAH
SCHEMBL27956798 0.79 GABRG2 (0.38) KMT2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL27539765 0.78 P2RX7 (0.55) P2RX7KMT2AMEN1GABRA1GABRG2
Hydrochloric Acid SCHEMBL29205819 0.78 P2RX7 (0.55) P2RX7KMT2AMEN1GABRA1GABRG2
SCHEMBL2652708 0.76 ALDH1A1 (0.55) KMT2AMEN1GABRA1GABRG2GABRB3
SCHEMBL27708372 0.76 P2RX7 (0.49) P2RX7KMT2AMEN1AHRFAAH
SCHEMBL29550139 0.76 ALDH1A1 (0.55) KMT2AMEN1GABRA1GABRG2GABRB3
SCHEMBL24927890 0.76 P2RX7 (0.45) P2RX7KMT2AMEN1FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025326-A Heterocyclic compound of bifunctional chimera for targeting and degrading androgen receptor and application thereof 广东东阳光药业股份有限公司 2025-05-23 CN disclosed
WO-2025011623-A1 CYANOQUINOLINE-TARGETING PROTEIN DEGRADATION MOLECULE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海壹迪生物技术有限公司 2025-01-16 WO disclosed
CN-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 CN disclosed