SCHEMBL19984791

SCHEMBL19984791

COc1ccccc1-c1nnc([C@H](CCC(=O)NCc2cccnc2)NS(=O)(=O)C2CC2)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APLNR P35414 1/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL19984845 0.92 ALDH1A1 (0.46) ALDH1A1GAAPKMNAMPTNOTUM
SCHEMBL19984981 0.88 CYP1A2 (0.40) ALDH1A1GAANAMPTCYP1A2CYP3A4
SCHEMBL19984790 0.84 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL19984799 0.84 KMT2A (0.43) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL19984798 0.78 CTSA (0.47) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL19984807 0.77 TP53 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2ATDP1
SCHEMBL19974309 0.76 LMNA (0.42) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL19984851 0.69 CTSS (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2ATDP1
SCHEMBL19984793 0.68 KMT2A (0.41) ALDH1A1L3MBTL1SMN1; SMN2KMT2ATDP1
SCHEMBL19984816 0.67 ADAMTS4 (0.41) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
WO-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed