SCHEMBL29800591

SCHEMBL29800591

CCN1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)[nH]c(=O)c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
KHK P50053 2/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
ACHE P22303 1/20 0.39
IP6K1 Q92551 2/20 0.36
IP6K3 Q96PC2 1/20 0.36
STAT3 P40763 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL23293821 1.00 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL29800261 0.90 KDM4E (0.56) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23293768 0.90 KDM4E (0.56) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23316360 0.89 KDM4E (0.42) KDM4EALDH1A1MAPTMEN1POLB
Hydrochloric Acid SCHEMBL23293837 0.89 KDM4E (0.56) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23293993 0.89 KDM4E (0.48) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23293858 0.88 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23316314 0.87 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL27242014 0.87 KDM4E (0.45) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23293905 0.87 STAT3 (0.49) KDM4EALDH1A1MAPTMEN1POLB

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed