SCHEMBL30456726

SCHEMBL30456726

O=C(NCc1cnc2ccccn12)C1CNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 4/20 0.49
GGPS1 O95749 1/20 0.44
FDPS P14324 1/20 0.44
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FLT3 P36888 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
HDAC4 P56524 1/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
EPHB3 P54753 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
MC4R P32245 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
SCHEMBL24349857 0.77 NMT2 (0.43) SSTR4GGPS1FDPSHDAC1ALDH1A1
SCHEMBL24348613 0.76 ALDH1A1 (0.36) SSTR4GGPS1FDPSHDAC1ALDH1A1
SCHEMBL29003076 0.76 JUN (0.39) SSTR4ALDH1A1KDM4EL3MBTL1IRAK4
SCHEMBL29003112 0.76 ALDH1A1 (0.38) SSTR4ALDH1A1KDM4EL3MBTL1IRAK4
SCHEMBL24348738 0.75 SSTR4 (0.80) SSTR4
SCHEMBL24348731 0.75 ALDH1A1 (0.41) SSTR4GGPS1FDPSHDAC1ALDH1A1
SCHEMBL24349858 0.75 ALDH1A1 (0.38) SSTR4GGPS1FDPSHDAC1ALDH1A1
SCHEMBL24348670 0.74 SSTR4 (0.61) SSTR4FLT3IRAK4
SCHEMBL27221259 0.73 NMT2 (0.37) SSTR4ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL8265490 0.72 GGPS1 (0.45) GGPS1FDPSHDAC1KDM4EFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157122-A Imidazo [1,2-a ] pyridine compounds and their use in therapy 帝国理工学院创新有限公司 2023-05-23 CN claimed
CN-116157122-A Imidazo [1,2-a ] pyridine compounds and their use in therapy 帝国理工学院创新有限公司 2023-05-23 CN disclosed