SCHEMBL11504047

SCHEMBL11504047

CCNC(=S)NC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ HTT P42858 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ LMNA P02545 4/20 0.57
▸ GAA P10253 1/20 0.55
▸ ALOX12 P18054 1/20 0.50

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
SCHEMBL11596471 0.89 — —
SCHEMBL13684848 0.81 KMT2A (0.96) MEN1KMT2AALDH1A1CYP3A4TP53
SCHEMBL11842060 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53HTTPKM
SCHEMBL491492 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53HTTPKM
SCHEMBL11597254 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53HTTPKM
SCHEMBL19420513 0.79 KMT2A (0.76) MEN1KMT2AALDH1A1CYP3A4TP53
SCHEMBL19420702 0.79 KMT2A (0.76) MEN1KMT2AALDH1A1CYP3A4TP53
SCHEMBL27910552 0.79 KMT2A (1.00) MEN1KMT2AALDH1A1CYP3A4HTT
SCHEMBL26115544 0.79 HTT (0.96) MEN1KMT2AALDH1A1CYP3A4TP53
SCHEMBL11596690 0.78 KMT2A (0.84) MEN1KMT2AALDH1A1CYP3A4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159328-A INSECTICIDES, MITICIDES NIHON NOHYAKU CO., LTD. (JP) 1979-06-26 — — US disclosed
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 — — US disclosed
US-4083979-A Thiazolidine derivatives and their use as salidiuretics HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 — — US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 — — US disclosed
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