SCHEMBL9834666

SCHEMBL9834666

CCOC(=O)C1(C)C(=O)Nc2cc3[nH]c(NC(C)=O)nc3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
TUBB4A P04350 5/20 0.38
TUBB P07437 5/20 0.38
TUBA3C P0DPH7 5/20 0.38
TUBA1B P68363 5/20 0.38
TUBA4A P68366 5/20 0.38
TUBB4B P68371 5/20 0.38
TUBB3 Q13509 5/20 0.38
TUBB2A Q13885 5/20 0.38
TUBB8 Q3ZCM7 5/20 0.38
TUBA3E Q6PEY2 5/20 0.38
TUBA1A Q71U36 5/20 0.38
TUBA1C Q9BQE3 5/20 0.38
TUBB6 Q9BUF5 5/20 0.38
TUBB2B Q9BVA1 5/20 0.38
TUBB1 Q9H4B7 5/20 0.38
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 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
SCHEMBL10768708 0.89 NQO2 (0.33) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9833659 0.86 LMNA (0.46) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9833648 0.85 AURKA (0.37) AURKAAURKBCYP1A2TSHRSMN1; SMN2
SCHEMBL9833681 0.83 AURKA (0.35) AURKAAURKBCYP1A2KMT2ATSHR
SCHEMBL9835776 0.83 FABP6 (0.40) AURKAAURKBCYP1A2KMT2AMAPK1
SCHEMBL9834452 0.81 AURKA (0.49) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9832983 0.81 ALDH1A1 (0.38) LMNAAURKAAURKBCYP1A2MAPK1
SCHEMBL9834509 0.81 KMT2A (0.42) AURKAAURKBCYP1A2KMT2AMAPK1
SCHEMBL9834977 0.81 KDM4E (0.38) LMNAAURKAAURKBCYP1A2KMT2A
SCHEMBL9834064 0.80 KDM4E (0.43) LMNAAURKAAURKBCYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed