SCHEMBL30923536

SCHEMBL30923536

CCOC(=O)c1cnc2ccc(OC(F)(F)F)cc2c1Nc1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 1.00
MAPT P10636 10/20 0.58
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
THRB P10828 1/20 0.52
PAX8 Q06710 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CREBBP Q92793 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL29409639 1.00 TP53 (1.00) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22366554 1.00 TP53 (1.00) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22602141 0.89 TP53 (0.79) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22601925 0.88 TP53 (0.78) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22589512 0.87 TP53 (0.77) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL29409632 0.87 TP53 (0.77) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL29409648 0.86 TP53 (0.76) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22589451 0.86 TP53 (0.76) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22589617 0.86 TP53 (0.75) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22589555 0.85 TP53 (0.73) TP53MAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105450-A2 MIRNA DYSREGULATION CORRECTION AS A STRATEGY TO TREAT HUNTINGTON'S DISEASE THE CHINESE UNIVERSITY OF HONG KONG (CN) 2024-05-23 WO claimed
WO-2024105450-A3 MIRNA DYSREGULATION CORRECTION AS A STRATEGY TO TREAT HUNTINGTON'S DISEASE THE CHINESE UNIVERSITY OF HONG KONG (CN) 2024-10-31 WO disclosed
WO-2024105450-A8 MIRNA DYSREGULATION CORRECTION AS A STRATEGY TO TREAT HUNTINGTON'S DISEASE THE CHINESE UNIVERSITY OF HONG KONG (CN) 2024-07-25 WO disclosed
WO-2024105450-A2 MIRNA DYSREGULATION CORRECTION AS A STRATEGY TO TREAT HUNTINGTON'S DISEASE THE CHINESE UNIVERSITY OF HONG KONG (CN) 2024-05-23 WO disclosed
WO-2024105450-A2 MIRNA DYSREGULATION CORRECTION AS A STRATEGY TO TREAT HUNTINGTON'S DISEASE THE CHINESE UNIVERSITY OF HONG KONG (CN) 2024-05-23 WO disclosed