SCHEMBL29914985

SCHEMBL29914985

Cn1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.69
DAO P14920 1/20 0.64
PSMB8 P28062 1/20 0.64
MAOB P27338 4/20 0.61
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PABPC1 P11940 1/20 0.50
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
ADORA1 P30542 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48

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
SCHEMBL3063232 1.00 PGR (0.69) PGRDAOPSMB8MAOBLMNA
SCHEMBL3066593 0.85 LMNA (0.57) PGRDAOPSMB8MAOBLMNA
SCHEMBL6540944 0.82 PGR (1.00) PGRDAOPSMB8MAOBLMNA
SCHEMBL9395750 0.82 GRIA1 (0.65) PGRDAOPSMB8MAOBGABRP
SCHEMBL29859942 0.79 LMNA (0.58) PGRDAOMAOBLMNAMEN1
SCHEMBL2522765 0.79 LMNA (0.58) PGRDAOMAOBLMNAMEN1
SCHEMBL7220155 0.79 DAO (0.66) PGRDAOMAOBLMNAMEN1
SCHEMBL24808382 0.79 MAT2A (0.49) PGRDAOPSMB8MAOBLMNA
SCHEMBL16997516 0.79 DAO (0.60) PGRDAOPSMB8MAOBLMNA
SCHEMBL9919007 0.79 CA9 (0.66) PGRLMNAMEN1KMT2AADORA3

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-114746428-B MCL1 inhibitor and application thereof 加利福尼亚技术学院 2025-05-16 CN disclosed
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 EP disclosed
CN-114746428-A MCL1 inhibitor and application thereof 加利福尼亚技术学院 2022-07-12 CN disclosed