SCHEMBL30935753

SCHEMBL30935753

O=c1[nH]c2ccnn2c2cc(C(F)(F)F)c(Br)c(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL30935776 0.86 ALDH1A1 (0.37) HPGDHSD17B10
SCHEMBL30935744 0.72 CDK4 (0.36) HPGDTSHRHSD17B10
SCHEMBL30935768 0.66 CYP1A2 (0.42) HPGDTSHRHSD17B10
SCHEMBL30935755 0.66 KDM4E (0.43) HPGDTSHRHSD17B10
SCHEMBL12952949 0.65 KDM4E (0.41) HPGDHSD17B10
SCHEMBL6288467 0.65 PARP1 (0.34) GRIA1GRIA2GRIA3GRIA4
SCHEMBL31392493 0.63 HPGD (0.36) HPGDTSHRHSD17B10CDK5CDK5R1
SCHEMBL22866499 0.63 TYMS (0.46) HPGDHSD17B10
SCHEMBL29792892 0.62 PARP1 (0.56) HPGD
SCHEMBL527381 0.62 PARP1 (0.56) HPGD

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-118239963-A Compounds as eIF4E inhibitors and uses thereof 南京圣和药业股份有限公司 2024-06-25 CN disclosed