SCHEMBL31179635

SCHEMBL31179635

O=c1c(F)c(-c2ccccc2)oc2cccc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.50
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ABCB1 P08183 3/20 0.43
▸ AR P10275 2/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ DDR2 Q16832 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL27495540 0.84 ADORA3 (0.66) ADORA3NMUR2MEN1KMT2ACYP3A4
SCHEMBL2331452 0.83 MEN1 (0.55) ADORA3NMUR2MEN1KMT2ACYP3A4
SCHEMBL28824893 0.79 KDM4E (0.52) ADORA3NMUR2MEN1KMT2ACYP3A4
SCHEMBL6720285 0.78 ADORA3 (0.44) ADORA3MEN1KMT2ACYP3A4KDM4E
SCHEMBL31098999 0.77 KMT2A (0.65) ADORA3NMUR2MEN1KMT2ACYP3A4
SCHEMBL27740532 0.75 ADORA3 (0.45) ADORA3MEN1KMT2ACYP3A4KDM4E
SCHEMBL27915695 0.74 TTR (0.44) ADORA3MEN1KMT2ACYP3A4KDM4E
SCHEMBL28807085 0.72 ALDH1A1 (0.50) ADORA3MEN1KMT2ACYP3A4KDM4E
SCHEMBL30497674 0.72 MAPK8 (0.56) ADORA3MEN1KMT2ACYP3A4KDM4E
SCHEMBL10516225 0.70 MEN1 (0.59) ADORA3NMUR2MEN1KMT2ACYP3A4

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-118973616-A Trkb ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-11-15 — — CN disclosed
CN-111601823-B Targeting LILRB4 with CAR-T or CAR-NK cells in cancer treatment 德克萨斯大学体系董事会 2024-09-24 — — CN disclosed
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