SCHEMBL9813560

SCHEMBL9813560

Cc1cccc(C)c1NC(=O)/C=C1\SCC(=O)N1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.49
▸ HTT P42858 1/20 0.49
▸ GSK3A P49840 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ BLM P54132 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SCN4A P35499 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PSMD14 O00487 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL9813563 1.00 LMNA (0.49) LMNAHTTGSK3AGSK3BBLM
SCHEMBL9813583 0.86 LMNA (0.45) LMNAHTTBLMSMN1; SMN2SCN4A
SCHEMBL9813588 0.86 LMNA (0.45) LMNAHTTBLMSMN1; SMN2SCN4A
SCHEMBL9813555 0.83 MAPK1 (0.44) LMNAHTTBLMSMN1; SMN2ALDH1A1
SCHEMBL9813556 0.83 MAPK1 (0.44) LMNAHTTBLMSMN1; SMN2ALDH1A1
SCHEMBL10849390 0.81 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1TDP1PSMD14
SCHEMBL10849384 0.81 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1TDP1PSMD14
SCHEMBL9813569 0.80 PSMD14 (0.61) LMNAHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL9813566 0.80 PSMD14 (0.61) LMNAHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL9813725 0.76 KMT2A (0.43) SMN1; SMN2ALDH1A1TDP1PSMD14KMT2A

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-0124911-B1 4-OXO-THIAZOLIDIN-2-YLIDEN-ACETAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM ILLNESSES CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-07-31 — — EP disclosed
US-4563471-A CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1986-01-07 — — US disclosed
EP-0124911-A2 4-Oxo-thiazolidin-2-yliden-acetamide derivatives, process for their preparation, and medicaments for the treatment of central nervous system illnesses containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1984-11-14 — — EP disclosed
Send feedback