SCHEMBL28686264

SCHEMBL28686264

CN1CCCc2cc(-c3ccc4[nH]c(=O)ccc4c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
TNKS O95271 2/20 0.42
PARP1 P09874 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
WDR5 P61964 1/20 0.42
NOTUM Q6P988 1/20 0.42
F11 P03951 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL14744803 0.77 ALDH1A1 (0.45) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL17809620 0.72 ALDH1A1 (0.51) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL22144473 0.70 ALDH1A1 (0.49) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL17809574 0.70 ALDH1A1 (0.51) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL17809611 0.69 MEN1 (0.50) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL16573987 0.69 CA12 (0.73) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17795410 0.68 CREBBP (0.54) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL4552802 0.67 CA12 (0.57) HPGDMEN1KMT2ACA12CA9
SCHEMBL17809777 0.67 CYP11B2 (0.48) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL10647052 0.67 WDR5 (0.41) HPGDMEN1KMT2AALDH1A1GAA

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-113811529-A Fibroblast activation protein inhibitor 普拉西斯生物技术有限责任公司 2021-12-17 CN disclosed