SCHEMBL9877092

SCHEMBL9877092

CCC(O)c1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
KDM4E B2RXH2 3/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38

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
SCHEMBL2201846 0.84 TAAR1 (0.52) LMNANOS3NOS2KDM4EGABRP
SCHEMBL23377250 0.82 SLC2A1 (0.39) LMNANOS3NOS2GABRPGABRD
SCHEMBL8697456 0.81 GABRP (0.38) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL23815821 0.80 NOS3 (0.45) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL12352043 0.78 LMNA (0.47) LMNAALOX15TDP1HDAC1HDAC6
SCHEMBL20342450 0.78 LMNA (0.47) LMNAALOX15TDP1HDAC1HDAC6
SCHEMBL2677573 0.78 ALDH1A1 (0.46) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL6469008 0.78 NOS3 (0.46) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL23655471 0.77 NOS3 (0.44) NOS3NOS2KDM4EGABRPGABRD
SCHEMBL8924164 0.77 LMNA (0.45) LMNA

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
CN-108349960-B Nostoc compounds and conjugates, their preparation and their therapeutic use 赛诺菲 2022-05-27 CN disclosed
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 EP disclosed
CN-108349960-A New nostoc element compound and conjugate, their preparation and their therapeutical uses 赛诺菲 2018-07-31 CN disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO disclosed
US-5003069-A Chichibabin reaction REILLY INDUSTRIES, INC. (US) 1991-03-26 US disclosed
EP-0098684-A2 Modified chichibabin reaction, and novel pyridine derivatives REILLY INDUSTRIES, INC. (US) 1984-01-18 EP disclosed