SCHEMBL31388397

SCHEMBL31388397

NC1Sc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc2N1CCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.59
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL31388390 0.88 EPHX2 (0.47) EPHX2MEN1NPC1LMNATP53
SCHEMBL31388396 0.82 SMN1; SMN2 (0.54) EPHX2MAPTSMN1; SMN2
SCHEMBL31388393 0.78 EPHX2 (0.59) EPHX2
SCHEMBL12932214 0.75 EPHX2 (0.90) EPHX2
SCHEMBL31388400 0.75 SMN1; SMN2 (0.54) EPHX2MEN1LMNAMAPTHTT
SCHEMBL12932434 0.75 EPHX2 (1.00) EPHX2MAPTHTT
SCHEMBL6567266 0.73 EPHX2 (0.61) EPHX2MEN1NPC1LMNATP53
SCHEMBL12932148 0.72 EPHX2 (1.00) EPHX2
SCHEMBL4266417 0.72 EPHX2 (1.00) EPHX2
SCHEMBL31388391 0.72 MAPK14 (0.47) EPHX2MEN1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707861-A 2-Substituted aminobenzothiazole compound and application thereof 沈阳药科大学 2025-03-28 CN claimed
CN-119707861-A 2-Substituted aminobenzothiazole compound and application thereof 沈阳药科大学 2025-03-28 CN disclosed