SCHEMBL29569737

SCHEMBL29569737

O=Cc1cccc(OCCn2ccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.64
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.61
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
NOS1 P29475 1/20 0.56
HMOX2 P30519 1/20 0.56
LTA4H P09960 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP19A1 P11511 1/20 0.54

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
SCHEMBL25344191 1.00 TBXAS1 (0.64) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL4131855 0.85 TBXAS1 (0.70) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL12382 0.80 KMT2A (0.87) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL1928520 0.80 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL3581172 0.80 ALDH1A1 (0.85) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL9451380 0.80 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL10370478 0.78 TBXAS1 (1.00) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL8995364 0.78 QPCT (0.69) TBXAS1KDM4EKMT2ANOS1
Hydrochloric Acid SCHEMBL9996050 0.77 TBXAS1 (0.97) TBXAS1ALDH1A1KDM4EKMT2ANOS1
SCHEMBL7472307 0.77 TBXAS1 (0.61) TBXAS1ALDH1A1KDM4EKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed