SCHEMBL9799313

SCHEMBL9799313

[C-]#[N+]C(CC)(CCCc1cc(OC)c(OC)c(OC)c1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 3/20 0.38
▸ TUBB P07437 3/20 0.38
▸ TUBA3C P0DPH7 3/20 0.38
▸ TUBA1B P68363 3/20 0.38
▸ TUBA4A P68366 3/20 0.38
▸ TUBB4B P68371 3/20 0.38
▸ TUBB3 Q13509 3/20 0.38
▸ TUBB2A Q13885 3/20 0.38
▸ TUBB8 Q3ZCM7 3/20 0.38
▸ TUBA3E Q6PEY2 3/20 0.38
▸ TUBA1A Q71U36 3/20 0.38
▸ TUBA1C Q9BQE3 3/20 0.38
▸ TUBB6 Q9BUF5 3/20 0.38
▸ TUBB2B Q9BVA1 3/20 0.38
▸ TUBB1 Q9H4B7 3/20 0.38
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL9799796 0.89 ALDH1A1 (0.40) CYP19A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL9799541 0.86 PTGS2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9833168 0.82 L3MBTL1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9833569 0.81 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9799824 0.81 NPC1 (0.35) CYP1A2CYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL9799232 0.79 OPRM1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9799522 0.79 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9799815 0.78 L3MBTL1 (0.35) L3MBTL1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9799390 0.70 CYP3A4 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10423292 0.69 KDM4E (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP disclosed
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