SCHEMBL29136436

SCHEMBL29136436

COC(=O)CCNc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL9829544 0.86 TOP2A (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL25400139 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ECYP2C19HTTKMT2A
SCHEMBL28326425 0.83 ALDH1A1 (0.45) ALDH1A1POLBCA12CA7CA14
SCHEMBL13948837 0.81 MAPT (0.60) ALDH1A1KDM4EPOLBGLACA12
SCHEMBL19974750 0.81 CHRM2 (0.57) ALDH1A1POLBCA12CA7CA14
SCHEMBL29577048 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBCA12CA9
SCHEMBL6090937 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBCA12CA9
SCHEMBL10875175 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGLACA12
SCHEMBL23291793 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBGLACA12
SCHEMBL7746507 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGLACA12

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
EP-4294806-A1 TYK2 INHIBITORS AND USES THEREOF Sudo Biosciences Limited (GB) 2023-12-27 EP disclosed
CN-117120440-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2023-11-24 CN disclosed
WO-2022175746-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-08-25 WO disclosed