SCHEMBL9833650

SCHEMBL9833650

[C-]#[N+]C(CC)(CCSc1ccc(Cl)cc1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ PKM P14618 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL9832379 0.89 NPC1 (0.35) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL9831386 0.80 MAPT (0.45) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL9799815 0.79 L3MBTL1 (0.35) MAPTLMNAL3MBTL1NPC1RAB9A
SCHEMBL9833569 0.78 TUBB4A (0.35) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL9834177 0.77 MAPT (0.42) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL9799824 0.72 NPC1 (0.35) KMT2AL3MBTL1NPC1
SCHEMBL9833086 0.68 NPC1 (0.38) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL9831796 0.65 NPC1 (0.35) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL9799796 0.63 ALDH1A1 (0.40) MAPTALDH1A1KMT2APOLBKDM4E
SCHEMBL9799313 0.63 TUBB4A (0.38) MAPTLMNAALDH1A1HPGDKMT2A

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-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 — — EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 — — US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 — — EP disclosed
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