SCHEMBL31616450

SCHEMBL31616450

COc1ccccc1NC(=S)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HPGD P15428 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ LPAR1 Q92633 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL31616376 1.00 LTC4S (0.57) LTC4SKMT2AMEN1ALDH1A1KDM4E
SCHEMBL31616463 1.00 LTC4S (0.57) LTC4SKMT2AMEN1ALDH1A1KDM4E
SCHEMBL31616338 0.86 MEN1 (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31616415 0.86 MEN1 (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31616442 0.86 MEN1 (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27720250 0.82 ALDH1A1 (0.73) KMT2AALDH1A1KDM4ELMNANSD2
SCHEMBL31616385 0.82 LTC4S (0.60) LTC4SKMT2AMEN1ALDH1A1KDM4E
SCHEMBL31616389 0.82 LTC4S (0.60) LTC4SKMT2AMEN1ALDH1A1KDM4E
SCHEMBL31616469 0.82 LTC4S (0.60) LTC4SKMT2AMEN1ALDH1A1KDM4E
SCHEMBL31616467 0.80 LMNA (0.61) KMT2AMEN1ALDH1A1KDM4ELMNA

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
WO-2025122121-A2 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND THE METHOD OF OBTAINING THESE COMPOUNDS HACETTEPE UNIVERSITESI REKTORLUK (TR) 2025-06-12 — — WO claimed
WO-2025122121-A2 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND THE METHOD OF OBTAINING THESE COMPOUNDS HACETTEPE UNIVERSITESI REKTORLUK (TR) 2025-06-12 — — WO disclosed
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