SCHEMBL31616378

SCHEMBL31616378

C[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.63
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ TRPV1 Q8NER1 3/20 0.52
▸ EPHX2 P34913 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 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
SCHEMBL31616431 1.00 IDH1 (0.63) IDH1MEN1KMT2AMAPTLMNA
SCHEMBL31616414 1.00 IDH1 (0.63) IDH1MEN1KMT2AMAPTLMNA
SCHEMBL31616459 0.87 IDH1 (0.69) IDH1LMNATRPV1EPHX2
SCHEMBL31616396 0.87 IDH1 (0.69) IDH1LMNATRPV1EPHX2
SCHEMBL31616462 0.87 IDH1 (0.69) IDH1LMNATRPV1EPHX2
SCHEMBL13182225 0.86 IDH1 (0.62) IDH1MEN1KMT2AMAPTLMNA
SCHEMBL31616399 0.86 LTC4S (0.57) IDH1MEN1KMT2AMAPTLMNA
SCHEMBL31616430 0.86 LTC4S (0.57) IDH1MEN1KMT2AMAPTLMNA
SCHEMBL31616405 0.85 MTOR (0.67) IDH1MEN1KMT2AMAPTLMNA
SCHEMBL2607664 0.84 IDH1 (0.68) IDH1EPHX2SMN1; SMN2

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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