SCHEMBL8750801

SCHEMBL8750801

CCN(CC)c1ccc(C#N)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.55
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP2A6 P11509 1/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
LRRK2 Q5S007 1/20 0.39
AOC3 Q16853 1/20 0.38
USP30 Q70CQ3 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MYC P01106 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL23073628 0.90 HCAR3 (0.45) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL14484955 0.87 GBA1 (0.42) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL26296938 0.86 HCAR3 (0.51) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL23073693 0.85 GBA1 (0.41) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL23073650 0.85 GBA1 (0.41) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL26124987 0.85 GBA1 (0.41) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL19418041 0.84 KDM4E (0.42) GBA1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL26123715 0.80 HCAR3 (0.41) GBA1KDM4EALDH1A1AOC3USP30
SCHEMBL27931553 0.80 AR (0.42) GBA1ALDH1A1CYP11B1CYP11B2CYP2A6
SCHEMBL19424010 0.80 JAK3 (0.39) GBA1KDM4EALDH1A1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
CN-108477173-A Heterocyclic compound as insecticide 拜耳农作物科学股份公司 2018-09-04 CN disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed