SCHEMBL1683786

SCHEMBL1683786

COc1cc(C(=O)c2c[nH]cn2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.49
TUBB4A P04350 7/20 0.49
TUBB P07437 7/20 0.49
TUBA3C P0DPH7 7/20 0.49
TUBA1B P68363 7/20 0.49
TUBA4A P68366 7/20 0.49
TUBB4B P68371 7/20 0.49
TUBB3 Q13509 7/20 0.49
TUBB2A Q13885 7/20 0.49
TUBB8 Q3ZCM7 7/20 0.49
TUBA3E Q6PEY2 7/20 0.49
TUBA1A Q71U36 7/20 0.49
TUBA1C Q9BQE3 7/20 0.49
TUBB6 Q9BUF5 7/20 0.49
TUBB2B Q9BVA1 7/20 0.49
LMNA P02545 1/20 0.43

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
Hydrochloric Acid SCHEMBL26634476 0.98 TUBB1 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Phosphoric Acid SCHEMBL30634472 0.94 TUBB1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5678124 0.77 CYP1A2 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4819729 0.76 TUBB4A (0.75) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11052249 0.76 TPMT (0.41)
SCHEMBL11053630 0.75 HPGD (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL786749 0.75 TUBB1 (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL27888195 0.74 TUBB4A (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5689131 0.73 SYK (0.45) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11047787 0.73 CNR2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514342-A1 POLYMORPHS OF [2-(1-INDOL-3-YL)-1H-IMIDAZOL-4-YL](3,4,5- TRIMETHOXY)METHANONE AND ITS SALTS Veru Inc. (US) 2025-03-05 EP disclosed
EP-4504183-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS Veru Inc. (US) 2025-02-12 EP disclosed
WO-2023212252-A1 POLYMORPHS OF [2-(1H-INDOL-3-YL)-1H-IMIDAZOL-4-YL](3,4,5- TRIMETHOXY)METHANONE AND ITS SALTS VERU INC. (US) 2023-11-02 WO disclosed
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO disclosed
WO-2021203100-A9 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-12-23 WO disclosed
EP-3793549-A1 COMPOUNDS FOR TREATMENT OF TRIPLE NEGATIVE BREAST CANCER AND OVARIAN CANCER University of Tennessee Research Foundation (US) 2021-03-24 EP disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed