SCHEMBL29990481

SCHEMBL29990481

O=[N+]([O-])c1cc(CO)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 1/20 0.56
VCAM1 P19320 1/20 0.53
MAPT P10636 3/20 0.50
LMNA P02545 6/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TTR P02766 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 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
SCHEMBL545367 1.00 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL2340873 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL29988362 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL571701 0.85 ATM (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL14880650 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL3120356 0.83 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL515466 0.82 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2ATMTDP1
SCHEMBL28563347 0.82 GAA (0.49) ALDH1A1MAPTLMNARECQLMEN1
SCHEMBL31023151 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL960995 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120092010-A Polycyclic poly (ADP-ribose) polymerase selective inhibitors 轩竹生物科技股份有限公司 2025-06-03 CN disclosed
CN-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 CN disclosed
EP-4363422-A1 MACROCYCLIC TAK1 INHIBITORS Aqilion AB (SE) 2024-05-08 EP disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2023275199-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2023-01-05 WO disclosed
WO-2022235698-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed