SCHEMBL30872883

SCHEMBL30872883

COC(=O)c1cccc(-c2ccccc2)c1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 5/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ EIF4H Q15056 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47

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
SCHEMBL30872885 0.85 SLC6A3 (0.53) SLC6A3SLC6A4MEN1KMT2APDCD1
SCHEMBL30872881 0.81 SLC6A3 (0.49) SLC6A3SLC6A4MEN1KMT2APDCD1
SCHEMBL1775832 0.79 SLC6A3 (0.74) SLC6A3SLC6A4MEN1KMT2APDCD1
SCHEMBL27843639 0.79 SLC6A3 (0.74) SLC6A3SLC6A4MEN1KMT2APDCD1
SCHEMBL29240582 0.78 TUBB4A (0.46) SLC6A3MEN1KMT2APABPC1EIF4H
Bicarbonate SCHEMBL27467504 0.77 SLC6A3 (0.72) SLC6A3SLC6A4MEN1KMT2APDCD1
Phosphine SCHEMBL11469830 0.77 SLC6A3 (0.72) SLC6A3SLC6A4MEN1KMT2APDCD1
Hydrogen Sulfide SCHEMBL27800986 0.77 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL69682 0.76 SLC6A3 (0.57) SLC6A3SLC6A4MEN1KMT2APDCD1
SCHEMBL5533081 0.76 PDCD1 (0.60) SLC6A3SLC6A4MEN1KMT2APDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924132-A Method for efficiently synthesizing 1,2, 3-trisubstituted aryl thioether compound 华南理工大学 2024-04-26 — — CN disclosed
Send feedback