SCHEMBL31411600

SCHEMBL31411600

O=C(O)c1ccc2c(c1)N(Cc1ccc3c(c1)OCO3)C(=O)CS2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 1/20 0.59
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
NPC1 O15118 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CMA1 P23946 1/20 0.51
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL31411885 0.93 HPGD (0.60) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31411783 0.88 ALDH1A1 (0.57) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL23768992 0.83 ALDH1A1 (0.71) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL29978848 0.83 ALDH1A1 (0.71) ALDH1A1MAPTLMNASMN1; SMN2CYP2C9
SCHEMBL31411784 0.81 ALDH1A1 (0.56) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31411774 0.81 ALDH1A1 (0.56) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31411689 0.80 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL31411673 0.79 MAPT (0.53) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL31411550 0.79 LMNA (0.58) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4014992 0.77 CMA1 (0.66) HPGDALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed